Exact Mass: 330.192197
Exact Mass Matches: 330.192197
Found 500 metabolites which its exact mass value is equals to given mass value 330.192197,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Carnosol
Carnosol is a naturally occurring phenolic diterpene found in rosemary (Rosemarinus officinalis, Labiatae). It has been known that an extract of rosemary leaves contains high antioxidative activity. Ninety percent of this antioxidative activity can be attributed to carnosol and carnosic acid. Carnosic acid is easily converted to carnosol by oxidation. Carnosol has multiple beneficial medicinal effects including anti-inflammatory, anti-microbial and anti-cancer activities in various disease models. Carnosol may possess important neuroprotective effects against rotenone-induced DA neuronal damage. Naturally occurring antioxidants reduce the risk of neurodegenerative diseases. In addition, carnosol and carnosic acid promoted the synthesis of nerve growth factor in glial cells. Carnosol-mediated neuroprotection in DA neurons is involved in the attenuation of caspase-3 activity, which was induced by rotenone. Furthermore, carnosol-mediated tyrosine hydroxylase (TH) increase, which is dependent on the Raf-mitogen-activated protein kinase (MEK)-extracellular signal-regulated kinase (ERK)1/2 signaling pathway, is responsible for the neuroprotection in SN4741 DA cells. (PMID: 17047462). Carnosol, a phenolic diterpene compound of the labiate herbs rosemary and sage, is an activator of the human peroxisome proliferator-activated receptor gamma (PPARgamma), a ligand activated transcription factor, belonging to the metazoan family of nuclear hormone receptors. Activation of PPARgamma increases the transcription of enzymes involved in primary metabolism, leading to lower blood levels of fatty acids and glucose. Hence, PPARgamma represents the major target for the glitazone type of drugs currently being used clinically for the treatment of type 2 diabetes. (PMID: 16858665). Bitter principle in Salvia carnosa, Salvia officinalis (sage), Salvia triloba (Greek sage) and Rosmarinus officinalis (rosemary). Nutriceutical with anticancer props. Carnosol is a diterpenoid. Carnosol is a natural product found in Podocarpus rumphii, Lepechinia salviae, and other organisms with data available.
Dicyclohexyl phthalate
CONFIDENCE standard compound; INTERNAL_ID 998; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10526; ORIGINAL_PRECURSOR_SCAN_NO 10521 CONFIDENCE standard compound; INTERNAL_ID 998; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10560; ORIGINAL_PRECURSOR_SCAN_NO 10557 CONFIDENCE standard compound; INTERNAL_ID 998; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10461; ORIGINAL_PRECURSOR_SCAN_NO 10459 CONFIDENCE standard compound; INTERNAL_ID 998; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10525; ORIGINAL_PRECURSOR_SCAN_NO 10523 CONFIDENCE standard compound; INTERNAL_ID 998; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10437; ORIGINAL_PRECURSOR_SCAN_NO 10436 CONFIDENCE standard compound; INTERNAL_ID 998; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10483; ORIGINAL_PRECURSOR_SCAN_NO 10481 CONFIDENCE standard compound; INTERNAL_ID 998; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3962; ORIGINAL_PRECURSOR_SCAN_NO 3958 CONFIDENCE standard compound; INTERNAL_ID 998; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3999; ORIGINAL_PRECURSOR_SCAN_NO 3998 CONFIDENCE standard compound; INTERNAL_ID 998; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3955; ORIGINAL_PRECURSOR_SCAN_NO 3952 CONFIDENCE standard compound; INTERNAL_ID 998; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3967; ORIGINAL_PRECURSOR_SCAN_NO 3965 CONFIDENCE standard compound; INTERNAL_ID 998; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3986; ORIGINAL_PRECURSOR_SCAN_NO 3983 CONFIDENCE standard compound; INTERNAL_ID 998; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3985; ORIGINAL_PRECURSOR_SCAN_NO 3982 CONFIDENCE standard compound; INTERNAL_ID 8270 CONFIDENCE standard compound; INTERNAL_ID 2506
Gibberellin A15
A C20-gibberellin that is the lactone form of gibberellin A15.
methyl gibberellin A9
3,3',4,4'-Tetrahydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl
3,3,4,4-Tetrahydroxy-5,5-diisopropyl-2,2-dimethylbiphenyl is found in herbs and spices. 3,3,4,4-Tetrahydroxy-5,5-diisopropyl-2,2-dimethylbiphenyl is a constituent of Thymus vulgaris (thyme). Constituent of Thymus vulgaris (thyme). 3,3,4,4-Tetrahydroxy-5,5-diisopropyl-2,2-dimethylbiphenyl is found in herbs and spices.
Momilactone B
Momilactone B is found in cereals and cereal products. Momilactone B is a constituent of Oryza sativa (rice) Momilactone B is an allelopathic agent produced from the roots of rice (Oryza sativa L.) (100 mg from 200 kg dry rice husk). It has been shown to be produced in high concentrations by the roots of rice seedlings. The production of momilactone B has also been induced in response to infection by blast fungus (Pyricularia oryzae) or irradiated with UV light. More recently is has been shown to be a potential chemotherapeutic agent against human colon cancer. The second step is the cyclization of syn-CDP to 9 -pimara-7,15-diene. This step is initiated by the elimination of the diphosphate group, a type A cyclization. The genes encoding for the type A cyclase were found by Otomo et al. in 2004. It is suggested that OsKS4, located on chromosome 4 (14.3cM) is one of the genes responsible for phytoalexin biosynthesis. After UV-radiation, OsKS4 mRNA levels rise drastically in response to the attack. Constituent of Oryza sativa (rice)
Yucalexin P15
Yucalexin P15 is found in root vegetables. Yucalexin P15 is a constituent of cassava roots (Manihot esculenta). Constituent of cassava roots (Manihot esculenta). Yucalexin P15 is found in root vegetables.
Yucalexin P8
Yucalexin P10 is found in root vegetables. Yucalexin P10 is a constituent of cassava Manihot esculenta.
Chembl4513510
C19H26N2O3 (330.19433260000005)
Gibberellin A15
Gibberellin a15 is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a15 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a15 can be found in a number of food items such as winter squash, common pea, common wheat, and chayote, which makes gibberellin a15 a potential biomarker for the consumption of these food products.
meso-Dihydroguaiaretic acid
Meso-dihydroguaiaretic acid is a lignan that is 2,3-dimethylbutane substituted by 2-methoxyphenol groups at positions 1 and 4 respectively. It has been isolated from the bark of Machilus robusta. It has a role as a plant metabolite. It is a lignan and a member of guaiacols. Meso-dihydroguaiaretic acid is a natural product found in Kadsura angustifolia, Kadsura heteroclita, and other organisms with data available. See also: Larrea tridentata whole (part of). A lignan that is 2,3-dimethylbutane substituted by 2-methoxyphenol groups at positions 1 and 4 respectively. It has been isolated from the bark of Machilus robusta. Dihydroguaiaretic acid, is isolated from the fruits of Saururus chinensis with an anti-cancer activty[1]. Dihydroguaiaretic acid, is isolated from the fruits of Saururus chinensis with an anti-cancer activty[1].
(7Z)-Lobohedleolide
A cembrane diterpenoid isolated from Lobophytum hedleyi and Lobophytum. It exhibits anti-HIV-1 activity.
[1aS-[1aalpha,4alpha,4aalpha,5alpha(Z),9aS*]]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 2-methyl-2-butenoic acid
[4S-(4alpha,4aalpha,5alpha,8abeta)]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methyl-2-butenoic acid
dihydroguaiaretic acid
Dihydroguaiaretic acid, is isolated from the fruits of Saururus chinensis with an anti-cancer activty[1]. Dihydroguaiaretic acid, is isolated from the fruits of Saururus chinensis with an anti-cancer activty[1].
2alpha-(Angelyloxy)-9-oxo-10alphaH-furoeremophilane
6beta-Angeloyloxy-10alphaH-9-oxofuranoeremophilane
[4S-(4alpha,4aalpha,5alpha)]-4,4a,5,6,7,9-Hexahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methylbutanoic acid
[4R-(4alpha,4aalpha,5beta)]-4,4a,5,6,7,9-Hexahydro-5-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 3-methyl-2-butenoic acid
[1aR-(1aalpha,4beta,4abeta,5beta,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 3-methyl-2-butenoic acid
8alpha-Isovaleryloxygazaniolide
3-(4-Geranyloxy-3-methoxyphenyl)-2-trans propenoic acid
11,12-Dihydroxy-6,8,11,13-abietatetraen-20-oic acid
3-(5-hydroxyprenyl)-5-prenyl-7E-p-coumaric acid|3-<5-hydroxyprenyl>-5-prenyl-7E-p-coumaric acid
5b,6-epoxydecahydro-7-hydroxy-3-isopropyl-3a,5a-dimethyl-8-methylene-4H-pentaleno[1,6a-a]pentalene-4,5(5aH)-dione|crinipellin C|rel-(1aR,2S,3aR,4aR,7R,7aR,9aS,9bR)-octahydro-2-hydroxy-7a,9a-dimethyl-3-methylene-7-(1-methylethyl)-3H,8H-pentaleno[6a,1: 5,6]pentaleno[1,6a-b]oxirene-8,9(9aH)-dione
8beta,12:15,16-diepoxy-cis-ent-cleroda-13(16),14-dien-18alpha,6alpha-olide
6,12-dihydroxyabieta-5,8,11,13-tetraene-7-one|fortunin F
(-)-10,13-dihydroxy-9-methyl-15-oxo-20-norkaur-16-en-18-ioc acid, gamma-lactone|13-hydroxy-15-oxozoapatlin
11-furan-2-yl-9-hydroxy-dodecahydro-7,14-methano-dipyrido[1,2-a;1,2-e][1,5]diazocin-4-one
C19H26N2O3 (330.19433260000005)
(15R)-12,16-epoxy-11,14-dihydroxy-8,11,13-abietatrien-7-one|hyptol
2,19;15,16-Diepoxy-neo-clerodan-3,13(16),14-trien-18-oic acid
(-)-cis-cleroda-1,3,13-trien-15,18-dioic acid-15,16-olide
2-Methoxy-6-(2-methoxy-4-propylphenoxy)-4-propylphenol
(-)-(4S,5S,8R,10R)-8,18-dihydroxy-12-oxo-abieta-9(11),13-dien-20-oic acid 18,20-lactone
An abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
15,16-epoxy-6alpha-hydroxy-cleroda-3,4,13(16),14-trien-12,10alpha,19-acetal|parvitexin C
6beta-tigloyloxy-furanoeremophil-1(10)-en-3beta-ol
ent-7-Oxo-6,7-secokaur-16-en-6,19-dicarbonsaeureanhydrid|Fujenal
8,9;15,16-Diepoxy-11-oxo-12-cleistanthen-17-al-(ent-8alpha,9alpha,14alphaH)-form
3-(5-methoxyprenyl)-5-prenyl-7E-p-coumaric acid|3-<5-methoxyprenyl>-5-prenyl-7E-p-coumaric acid
(-)-15,16-epoxy-cis-cleroda-1,13(16),14-trien-12-hydroxy-18-oic acid-18,6alpha-olide
6-Ketone-(2alpha,6alpha)-2,6,11-Trihydroxy-7,9(11),13-abietatrien-12-one
6-Angloyl-(6beta,9beta)-Furanoeremophil-1(10)-ene-6,9-diol
11alpha-hydroxy-3-(1-hydroxy-1-methylethyl)-13beta-isopropyl-5-methyl-1,2,3beta,11,13,14beta-hexahydro-13,14-oxacyclopropa[a]phenalen-12-one|proinoid A
12(S)-hydroxy-15,16-epoxy-8(17),13(16),14-ent-labdatrien-20,19-olide
(+)-(5S,6S,7S,10R)-6,7,12-trihydroxyabieta-8,11,13-trien-20-oic acid 6,20-lactone
6,12,15-trihydroxy-5,8,11,13-abietatetraen-7-one|6,12,15-trihydroxy-5,8,11,13-abietatetraene-7-one|6,12,15-trihydroxy-5,8,11,13-abietetriene-7-one
2,3-Dihydroxy-17beta-acetoxy-oestratrien-(1,3,5(10))|2-Hydroxy-oestradiol-monoacetat-(17beta)|Oestra-1,3,5(10)-trien-2,3,17beta-triol-17-acetat
3-Ac-(16alpha,17betaOH)-Estra-1,3,5(10)-triene-3,16,17-triol
7alpha-17(15-16)-Abeo-7,12-dihydroxy-8,12,16-abietatriene-11,14-dione
(7R,8R)-7-hydroxy-7-methyl-8-(2-oxoheptyl)-3-((E)-prop-1-enyl)-7,8-dihydro-6H-isochromen-6-one|monapurone A
(1E,6E)-xenica-1(9),6,13-triene-17,18:19,18-diolide
6beta-(2-methylbutanoyloxy)-9-oxo-1(10)-furanoeremophilene
1beta,12:15,16-diepoxy-cis-ent-cleroda-13(16),14-dien-18alpha,6alpha-olide
15-Ac-(15alpha,17beta)-Estra-1,3,5(10)-triene-3,15,17-triol
8,12-epoxy-2-[(senecioyl)oxy]eremophil-7,11-dien-9-one
1beta-senecioyloxy-5betaH,6alphaH,7alphaH,10alphaMe,11alphaH-eudesma-2,4(15)-dien-6,12-olide
(5S*,8S*,9R*,10S*)-11beta,12beta-epoxy-9alpha-hydroxy-19(4->3)abeo-abieta-3,13-diene-19,18-olide
jatrophodione A|rel-(1aR,3aR,7azeta,9S,9aS,9bR)-1a,2,3,3a,7a,9,9a,9b-octahydro-9-hydroxy-1,1,3a,6,9-pentamethyl-1H-cyclopropa[3,4]benz[1,2-f]azulene-5,8-dione
1,10a-Dihydroxy-3a,8,10b-trimethyl-8-vinyl-2,3,3a,4,9,10,10a,10b-octahydro-1H-phenanthro[10,1-bc]furan-6(8H)-one
13-hydroxy-14-isopropyl-7-oxo-8,11,13-podocarpatrien-19-oic acid|inumakiol G
mkapwanin|neo-clerodan-3,13-dien-16,15:18,19-diolide
(1S*,2S*,12R*,13R*,3E,7E)-12,13-epoxy-11-oxocembra-3,7,15(17)-trien-16,2-olide|crassocolide N
3,4,15,16-diepoxy-cleroda-13(16),14-diene-12,17-olide
2alpha,7alpha-dihydroxydihydrovoaphylline
C19H26N2O3 (330.19433260000005)
ent-11,12-dihydroxyabieta-7-oxo-8,11,13-trien-15-ol
12-hydroxy-7-oxo-dehydroabietic acid|liquiditerpenoic acid A
13-hydroxy-12-isopropyl-8,11,13-podocaratrien-18-oic acid|liquiditerpenoic acid B
(2-methylbutyryloxy)-isovaleryloxy-dehydrocostus|<2-methylbutyryloxy>-isovaleryloxy-dehydrocostus
5-alpha-Hydroxy-1,2-dehydro-5,10-dihydroprintzianic acid
1betaH,5betaH,6alphaH,7alphaH-11alpha-angeloyloxyguaia-3(4),10(14)-dien-6,7-olide
(1S,2S,3S,6E,7S,9R,10S,13R)-13-ethenyl-6-ethylidene-1,9,12,12-tetramethyl-4,8-dioxatetracyclo[8.3.1.02,9.03,7]tetradecane-5,11-dione|Pallavicinin
4-Me ether-(alphaE)-3-(10-Hydroxygeranyl)-p-coumaric acid
(ent-2alpha,5beta)-15,16-Epoxy-2-hydroxy-1(10),13(16),14-clerodatrien-18,19-olide
3beta-angeloyloxy-6alpha,14-epoxyfuranoereomphilane
1beta,16:15,16-diepoxy-cis-ent-cleroda-12,14-dien-18alpha,6alpha-olide
3,12-dioxo-15,16-epoxy-cleroda-13(16),14-dien-9-al
13-hydroxy-14-isopropyl-2-oxo-8,11,13-podocarpatrien-19-oic acid|inumakiol C
1,1-Dimethyl-5,6-dihydroxy-7-isopropyl-1,2,3,4,4a,10a-hexahydrophenanthrene-4a-carboxylic acid
3,4,18beta-cyclopropa-8beta-hydroxy-14-oxo-ent-abiet-13,15-en-16,12-olide|retusolide A
6beta-<2-methyl-2-vinylacetoxy>-furoeremophil-9-one
1,14-dioxo-4-hydroxycyatha-2,11-diene-12-carbaldehyde|cyrneine D
7-hydroxy-6-oxo-7,11,13-labdatrien-16,15-olide|hedychilactone D
(-)-(1beta,3Z,6beta,7E,9beta,20alpha)-6,20-dihydroxy-10-oxoverticilla-3,7,11-trien-18-al|cespihypotin Y
19-hydroxy-3-oxo-ent-labda-8(17),11,13-trien-16,15-olide
4,14-dihydroxy-1-oxocyatha-2,5(10),11-triene-12-carbaldehyde|cyrneine B
15-oxo-14,16H-seco-nidoresedic acid|15-oxo-14,16H-strictic acid
16-Ac-(16alpha,17betaOH)-Estra-1,3,5(10)-triene-3,16,17-triol
4-(3-Hydroxy-3-methylbutyl)-3,4,5-trimethoxybiphenyl|Tri-Me ether-3,4,5-Trihydroxy-4-(3-hydroxy-3-methylbutyl)biphenyl
1-[7,8-dihydro-7-hydroxy-7-methyl-8-oxo-3-(1E)-1-propenyl-6H-2-benzopyran]heptan-2-one|monarubrin
1alpha-angeloyloxy-10betaH-eremophil-7(11),8-diene-12,8-olide
6alpha,11-dihydroxy-10,7beta-epoxy-12,16-epoxy-9(10-20)-abeo-abieta-8,11,13-triene|latiferanol
16-hydroxy-6-oxo-7,11,13-labdatrien-16,15-olide|spicatanol
Jolkinolide B
Jolkinolide B is a diterpene lactone. It has a role as a metabolite. Jolkinolide B is a natural product found in Euphorbia fischeriana, Euphorbia portulacoides, and other organisms with data available. A natural product found in Euphorbia fischeriana.
G8DW2Y2JBT
(-)-Dihydroguaiaretic acid is a natural product found in Machilus thunbergii, Saururus cernuus, and other organisms with data available.
TriptoquinoneB
Triptoquinone B is an abietane diterpenoid with formula C20H26O4, originally isolated from Tripterygium wilfordii. It has a role as a plant metabolite. It is a cyclic terpene ketone, a member of p-quinones, an abietane diterpenoid, a carbotricyclic compound, a tricyclic diterpenoid and a primary alcohol. Triptoquinone B is a natural product found in Tripterygium wilfordii and Tripterygium doianum with data available. An abietane diterpenoid with formula C20H26O4, originally isolated from Tripterygium wilfordii.
3-(2,5-dihydroxy-6-methyl-3-propan-2-ylphenyl)-2-methyl-5-propan-2-ylbenzene-1,4-diol
1-(4-hydroxy-3-methoxyphenyl)-7-phenylheptane-3,5-diol
C20H26O4_15-Hydroxy-7-oxoabieta-8(14),9(11),12-trien-18-oic acid
C20H26O4_(6E,10Z,14E)-6,14-Dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,12,13,15a-decahydrocyclotetradeca[b]furan-10-carboxylic acid
C20H26O4_2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, (2E)
(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
7-[2-(furan-3-yl)ethyl]-5-hydroxy-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one
(6E,10Z,14E)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
(1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
(1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid_major
7-[2-(furan-3-yl)ethyl]-5-hydroxy-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one_major
(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate_major
Ala Ala Ala Val
Ala Ala Gly Ile
Ala Ala Gly Leu
Ala Ala Ile Gly
Ala Ala Leu Gly
Ala Ala Val Ala
Ala Gly Ala Ile
Ala Gly Ala Leu
Ala Gly Ile Ala
Ala Gly Leu Ala
Ala Ile Ala Gly
Ala Ile Gly Ala
Ala Leu Ala Gly
Ala Leu Gly Ala
Ala Val Ala Ala
Gly Ala Ala Ile
Gly Ala Ala Leu
Gly Ala Ile Ala
Gly Ala Leu Ala
Gly Gly Val Val
Gly Ile Ala Ala
Gly Leu Ala Ala
Gly Val Gly Val
Gly Val Val Gly
Ile Ala Ala Gly
Ile Ala Gly Ala
Ile Gly Ala Ala
Leu Ala Ala Gly
Leu Ala Gly Ala
Leu Gly Ala Ala
Val Ala Ala Ala
Val Gly Gly Val
Val Gly Val Gly
Val Val Gly Gly
4,4-(2,3-Dimethyl-1,4-butanediyl)bis(2-methoxyphenol)
Momilacton b
Yucalexin P15
Yucalexin P8
An organic heterotetracyclic compound that is ent-pimara-9(11),15-diene which is substituted by oxo groups at position 2 and 12, by a beta-epoxide at the 8,14 position, and by an alpha-hydroxy group at position 3.
3,3,4,4-Tetrahydroxy-5,5-diisopropyl-2,2-dimethylbiphenyl
7-[2-(3-Furyl)ethyl]-5-hydroxy-7,8-dimethyl-6,6a,7,8,9,10-hexahydronaphtho[1,8a-c]furan-3(5H)-one
6-[(2E,6E)-7-(5-Hydroxy-3-methyl-2-oxo-3-cyclopenten-1-yl)-6-methyl-2,6-heptadien-2-yl]-3-methyl-5,6-dihydro-2H-pyran-2-one
FAL 24:11
TERT-BUTYL 4-(BENZYLOXYMETHYL)-4-CYANOPIPERIDINE-1-CARBOXYLATE
C19H26N2O3 (330.19433260000005)
Tert-Butyl 2-Benzyl-1-Oxo-2,7-Diazaspiro[3.5]Nonane-7-Carboxylate
C19H26N2O3 (330.19433260000005)
tert-butyl 7-benzyl-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
C19H26N2O3 (330.19433260000005)
TERT-BUTYL 2-BENZYL-1-OXO-2,6-DIAZASPIRO[3.5]NONANE-6-CARBOXYLATE
C19H26N2O3 (330.19433260000005)
tert-butyl 4-(cyanomethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate
C19H26N2O3 (330.19433260000005)
1-PIPERIDINECARBOXYLIC ACID, 4-(5-METHOXY-1H-INDOL-3-YL)-, 1,1-DIMETHYLETHYL ESTER
C19H26N2O3 (330.19433260000005)
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclopentyl-N-propyl- (9CI)
C18H26N4S (330.18780760000004)
ASP 9521
C19H26N2O3 (330.19433260000005)
C471 - Enzyme Inhibitor
Sulfuric acid, mono-C12-18-alkyl esters, sodium salts
3,3,5,5-Tetramethyl-4,4’-di(2-hydoxethanyoxy)-bibenzene
6-(3,5-Dimethylbenzyl)-1-ethoxymethyl-5-isopropyluracil
C19H26N2O3 (330.19433260000005)
Lobohedleolide
A cembrane diterpenoid isolated from Lobophytum hedleyi and Lobophytum. It exhibits anti-HIV-1 activity.
hedychilactone D
A labdane diterpenoid that is 7,11,13-labdatrien-16,15-olide substituted by a hydroxy group at position 7 and an oxo group at position 6. Isolated from the rhizomes of Hedychium spicatum, it exhibits cytotoxicity against the Colo-205 (Colo-cancer), A-431 (skin cancer), MCF-7 (breast cancer), A-549 (lung cancer) and Chinese hamster ovary cells (CHO).
3-(2,5-Dihydroxy-6-methyl-3-propan-2-ylphenyl)-2-methyl-5-propan-2-ylbenzene-1,4-diol
6,14-Dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
1-(4-Hydroxy-3-methoxyphenyl)-7-phenylheptane-3,5-diol
3-Hydroxy-3,20:6,18-diepoxypimara-7,15-dien-18-one
(1R,2R,5R,8R,9S,10S,11S)-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid
(E)-7-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)hept-5-ene-2,4-dione
[3-carboxy-2-[(E)-8-carboxyoct-5-enoyl]oxypropyl]-trimethylazanium
C16H28NO6+ (330.19165280000004)
[3-carboxy-2-[(E)-8-carboxyoct-6-enoyl]oxypropyl]-trimethylazanium
C16H28NO6+ (330.19165280000004)
[3-carboxy-2-[(E)-8-carboxyoct-2-enoyl]oxypropyl]-trimethylazanium
C16H28NO6+ (330.19165280000004)
(-)-(5S,6S,7S,10R)-6,7,12-trihydroxyabieta-8,11,13-trien-20-oic acid 6,20-lactone
An abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
(+)-(5S,6S,7R,10R)-6,7,12-trihydroxyabieta-8,11,13-trien-20-oic acid 6,20-lactone
An abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
4-(1-naphthylmethyl)-N-(3-pyridinylmethylene)-1-piperazinamine
N-cycloheptyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide
C19H26N2O3 (330.19433260000005)
N-[[(2S,3S,4S)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]propanamide
C19H26N2O3 (330.19433260000005)
N-[[(2R,3R,4R)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]propanamide
C19H26N2O3 (330.19433260000005)
N-[[(2S,3R,4S)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]propanamide
C19H26N2O3 (330.19433260000005)
N-[[(2R,3R,4S)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]propanamide
C19H26N2O3 (330.19433260000005)
N-[[(2S,3R,4R)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]propanamide
C19H26N2O3 (330.19433260000005)
N-[[(2S,3S,4R)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]propanamide
C19H26N2O3 (330.19433260000005)
N-[[(2R,3S,4S)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]propanamide
C19H26N2O3 (330.19433260000005)
N-[[(2R,3S,4R)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]propanamide
C19H26N2O3 (330.19433260000005)
(2E,4E,6E,8E)-9-[2-(hydroxymethyl)-6,6-dimethyl-3-oxocyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
(2E,4E,6E,8E)-9-[6-(hydroxymethyl)-2,6-dimethyl-3-oxocyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
(3aS,6Z,10E,14E,15aS)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
(3aS,6E,10E,14Z,15aS)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
(10E,14E)-6,7-Epoxy-6,10,14-trimethyl-3-methylene-3A,6,7,8,9,12,13,15A-octahydrocyclotetradeca(B)furan-2(3H),5(4H)-dione
(1s,2r,5s,8s,9s,10s,11s)-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1⁵,⁸.0¹,¹⁰.0²,⁸]octadecane-9-carboxylic acid
6,14-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,12h,13h,15ah-cyclotetradeca[b]furan-10-carboxylic acid
(5r)-4-[(1e)-2-[(1s,4as,8ar)-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1h-naphthalen-1-yl]ethenyl]-5-hydroxy-5h-furan-2-one
(4s,4ar,5s,8ar)-3,4a,5-trimethyl-9-oxo-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-4-yl (2z)-2-methylbut-2-enoate
methyl (2e)-3-(4-{[(2e,5r)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)prop-2-enoate
(3ar,4r,11ar)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2z)-2-methylbut-2-enoate
6,10b-dihydroxy-1-isopropyl-3a,5a-dimethyl-3-oxo-4h,5h,6h,7h-cyclohepta[e]indene-8-carbaldehyde
1,4-dihydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione
(4z,4as,11ar)-4-[(2e)-4-hydroxy-4-methylpent-2-en-1-ylidene]-7-methyl-11-methylidene-1h,4ah,5h,6h,10h,11ah-cyclonona[c]pyran-3,9-dione
6a-hydroxy-6-(2-hydroxypropan-2-yl)-7a-isopropyl-3-methyl-4h,5h,6h,8ah-phenaleno[1,2-b]oxiren-7-one
3-hydroxy-2-isopropyl-4b,8,8-trimethyl-6,8a,9,10-tetrahydro-5h-phenanthrene-1,4,7-trione
(4r,4ar,5r)-5-hydroxy-3,4a,5-trimethyl-4h,6h,7h,9h-naphtho[2,3-b]furan-4-yl (2z)-2-methylbut-2-enoate
10b-hydroxy-1-isopropyl-3a,5a-dimethyl-3,6-dioxo-4h,5h,7h,10h,10ah-cyclohepta[e]indene-8-carbaldehyde
(2r,4as,4br,6r,7r,10ar)-6,7-dihydroxy-4b-methyl-2-(2-methylfuran-3-yl)-2,3,4,4a,5,6,7,8,10,10a-decahydrophenanthren-1-one
4-[(2e)-4-hydroxy-4-methylpent-2-en-1-ylidene]-7-methyl-11-methylidene-1h,4ah,5h,6h,10h,11ah-cyclonona[c]pyran-3,9-dione
(4s,4ar,5r,6s)-6-hydroxy-3,4a,5-trimethyl-4h,5h,6h,7h,9h-naphtho[2,3-b]furan-4-yl (2e)-2-methylbut-2-enoate
(3r,3as,5ar,6s,9as,9bs)-3,5a-dimethyl-9-methylidene-2-oxo-3h,3ah,4h,5h,6h,9ah,9bh-naphtho[1,2-b]furan-6-yl (2z)-2-methylbut-2-enoate
(2s,4ar,6ar,8r,10ar,10br)-2-(furan-3-yl)-8-hydroxy-6a,10b-dimethyl-7-methylidene-octahydro-1h-naphtho[2,1-c]pyran-4-one
2-(2,3-dihydroxy-4-methylphenyl)-6-methylhepta-1,5-dien-3-yl (2z)-2-methylbut-2-enoate
(1r,4r,6r,9e,13e,15s)-4,9,13-trimethyl-18-methylidene-5,16-dioxatricyclo[13.3.0.0⁴,⁶]octadeca-9,13-diene-3,17-dione
7-[2-(furan-3-yl)ethyl]-9-hydroxy-7,8-dimethyl-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-3-one
3-hydroxy-4,8,11b-trimethyl-9-oxo-1h,2h,3h,4ah,5h,6h,10ah,11h,11ah-phenanthro[3,2-b]furan-4-carbaldehyde
(1r,8r,9r,10s,11s,12r)-9-[2-(furan-3-yl)ethyl]-11-hydroxy-9,10,12-trimethyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodec-4-en-3-one
5,11,15,15-tetramethyl-2,7-dioxapentacyclo[8.8.0.0¹,³.0⁴,⁸.0¹¹,¹⁶]octadec-4-ene-6,14-dione
5-[2-(furan-3-yl)-2-oxoethyl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
(1r,2s,5r,8r,9s,10s,11r,13r)-13-hydroxy-11-methyl-6-methylidene-16-oxopentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid
5-[(1r,8as)-7,8,8a-trihydroxy-6-isopropyl-2-methyl-1h-naphthalen-1-yl]-2-methylpent-1-en-3-one
3,4a,5-trimethyl-9-oxo-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-6-yl 2-methylbut-2-enoate
3,15-dimethyl-5,14-dioxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-2(6),3-dien-11-yl 2-methylbut-2-enoate
(4br)-3,8a-dihydroxy-2-isopropyl-4b,8,8-trimethyl-6,7-dihydro-5h-phenanthrene-1,4-dione
(8r)-7-hydroxy-2,2,8-trimethyl-8-(3-methylbut-2-en-1-yl)-6-propanoylchromen-5-one
5,8a-dimethyl-3-methylidene-2-oxo-3ah,4h,6h,7h,8h,9h,9ah-naphtho[2,3-b]furan-6-yl 3-methylbut-2-enoate
4-[2-(3-hydroxy-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1h-naphthalen-1-yl)ethenyl]-5h-furan-2-one
(4as,10ar)-6-hydroxy-7-[(2s)-1-hydroxypropan-2-yl]-1,1,4a-trimethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
(2s,7s)-14-hydroxy-13-isopropyl-2,6,6-trimethyl-9-oxatricyclo[9.4.0.0²,⁷]pentadeca-1(11),12,14-triene-8,10-dione
(5z,7e,12r,13s)-12-isopropyl-5,9-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7-triene-3,10,15-trione
8-formyl-1-isopropyl-5a-methyl-6-oxo-2h,3h,4h,5h,7h,10h,10ah-cyclohepta[e]indene-3a-carboxylic acid
(1s,4as,10ar)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2h-phenanthrene-1-carboxylic acid
(1s,2r,7s,8r,11s,17r)-11-hydroxy-2,7,14-trimethyl-16-oxapentacyclo[9.7.0.0²,⁸.0⁵,⁷.0¹³,¹⁷]octadec-13-ene-12,15-dione
(1r,4r,5r,5'r,7as)-5'-(furan-3-yl)-1-(hydroxymethyl)-1,5,7a-trimethyl-2,5,6,7-tetrahydrospiro[indene-4,3'-oxolan]-2'-one
3-hydroxy-5-(4-hydroxy-4-methylpentyl)-2-isopropyl-6-methylnaphthalene-1,4-dione
3,4a,5-trimethyl-9-oxo-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-7-yl 2-methylbut-2-enoate
(4br)-1,8a-dihydroxy-2-isopropyl-4b,8,8-trimethyl-6,7-dihydro-5h-phenanthrene-3,4-dione
(4ar)-6,7,10-trihydroxy-5-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2h-phenanthren-9-one
3-[2-(2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1h-naphthalen-1-yl)ethenyl]-5-hydroxy-5h-furan-2-one
methyl 11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylate
2-(hydroxymethyl)-3-(2-hydroxypropyl)-1'-methyl-8-azaspiro[bicyclo[3.2.1]octane-6,3'-indol]-2'-one
C19H26N2O3 (330.19433260000005)
alstonoxine b
C19H26N2O3 (330.19433260000005)
{"Ingredient_id": "HBIN015775","Ingredient_name": "alstonoxine b","Alias": "NA","Ingredient_formula": "C19H26N2O3","Ingredient_Smile": "CC(CC1CC2C3(CC(C1CO)N2)C4=CC=CC=C4N(C3=O)C)O","Ingredient_weight": "330.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1004","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15884899","DrugBank_id": "NA"}
14-ethyl-14-(2-hydroxyethyl)-16-oxa-8,10-diazatetracyclo[8.6.2.0¹,⁹.0²,⁷]octadeca-2,4,6-trien-15-one
C19H26N2O3 (330.19433260000005)
(1s,2r,3s,5s,6s)-2-(hydroxymethyl)-3-(2-hydroxypropyl)-1'-methyl-8-azaspiro[bicyclo[3.2.1]octane-6,3'-indol]-2'-one
C19H26N2O3 (330.19433260000005)
(1s,2r,3s,5s,6s)-2-(hydroxymethyl)-3-[(2r)-2-hydroxypropyl]-1'-methyl-8-azaspiro[bicyclo[3.2.1]octane-6,3'-indol]-2'-one
C19H26N2O3 (330.19433260000005)
(1s,2r,3s,5s,6r)-2-(hydroxymethyl)-3-(2-hydroxypropyl)-1'-methyl-8-azaspiro[bicyclo[3.2.1]octane-6,3'-indol]-2'-one
C19H26N2O3 (330.19433260000005)
(1s,2r,3s,5s,6s)-2-(hydroxymethyl)-3-[(2s)-2-hydroxypropyl]-1'-methyl-8-azaspiro[bicyclo[3.2.1]octane-6,3'-indol]-2'-one
C19H26N2O3 (330.19433260000005)