Karounidiol (BioDeep_00000000678)

PANOMIX_OTCML-2023

代谢物信息卡片

(3r,6bs,8as,11r,12bs,14bs)-11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicen-3-ol

化学式: C30H48O2 (440.36541079999995)
中文名称: 栝楼萜二醇
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 58.82%

分子结构信息

SMILES: CC1(C(CCC2(C1CC=C3C2=CCC4(C3(CCC5(C4CC(CC5)(C)CO)C)C)C)C)O)C
InChI: InChI=1S/C30H48O2/c1-25(2)22-9-8-21-20(28(22,5)12-11-24(25)32)10-13-30(7)23-18-26(3,19-31)14-15-27(23,4)16-17-29(21,30)6/h8,10,22-24,31-32H,9,11-19H2,1-7H3/t22-,23+,24+,26+,27+,28+,29+,30-/m0/s1

描述信息

Karounidiol is an organic hydroxy compound.
Karounidiol is a natural product found in Benincasa hispida, Trichosanthes dioica, and other organisms with data available.

同义名列表

12 个代谢物同义名

(3r,6bs,8as,11r,12bs,14bs)-11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicen-3-ol; (3R,4aR,6aS,6bS,8aS,11R,12aR,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-ol; DC-friedo-oleana-7,9(11)-diene-3alpha,29-diol; D:C-Friedooleana-7,29-diol; isokarounidiol; NCI60_037647; Karounidiol; (3R,4aR,6aS,6bS,8aS,11R,12aR,14bS)-4,4,6a,6b,8a,11,14b-heptamethyl-11-methylol-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-ol; 26-Noroleana-7,9(11)-diene-3,29-diol, 13-methyl-,(3alpha,13alpha,14beta,20alpha)-; D:C-Friedooleana-7,9(11)-diene-3.alpha.,29-diol; CCRIS 7117; NSC705536

数据库引用编号

13 个数据库交叉引用编号

ChEBI: CHEBI:81057
KEGG: C17394
PubChem: 159490
PubChem: 53462734
Metlin: METLIN71659
ChEMBL: CHEMBL1983444
MeSH: karounidiol
ChemIDplus: 0118117310
CAS: 118117-31-0
medchemexpress: HY-124220
PMhub: MS000025764
PubChem: 96023747
NIKKAJI: J514.544I

分类词条

三萜类

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

15 个相关的物种来源信息

102211 - Benincasa hispida: 10.1016/S0031-9422(97)00433-0
3654 - Citrullus lanatus: 10.1016/S0031-9422(97)00433-0
387127 - Coccinia grandis: 10.1016/S0031-9422(97)00433-0
3656 - Cucumis melo: 10.1016/S0031-9422(97)00433-0
3659 - Cucumis sativus: 10.1016/S0031-9422(97)00433-0
869827 - Cucumis sativus var. sativus: 10.1016/S0031-9422(97)00433-0
3662 - Cucurbita moschata: 10.1016/S0031-9422(97)00433-0
3668 - Lagenaria siceraria: 10.1016/S0031-9422(97)00433-0
3673 - Momordica charantia: 10.1016/S0031-9422(97)00433-0
685054 - Trichosanthes cucumeroides: 10.1016/S0031-9422(97)00433-0
320667 - Trichosanthes dioica: 10.1016/S0031-9422(97)00433-0
3677 - Trichosanthes kirilowii:
386244 - Trichosanthes ovigera: 10.1016/S0031-9422(97)00433-0
33090 - 木鳖子: -
33090 - 瓜蒌: -

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。

文献列表

Yan-Bin Xi, Zhi-Mao Chao, Jin Wang. [Chemical constituents in unsaponifiable matter from seeds of Trichosanthes hupehensis]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2007 Nov; 32(21):2262-5. doi: . [PMID: 18309669]
Lian-Di Kan, Quan Hu, Zhi-Mao Chao, Xiao Song, Xue-Li Cao. [Chemical constituents of unsaponifiable matter from seed oil of Momordica cochinchinensis]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2006 Sep; 31(17):1441-4. doi: . [PMID: 17087086]