Polypodine B (BioDeep_00000004329)
Secondary id: BioDeep_00001869630
PANOMIX_OTCML-2023 natural product
代谢物信息卡片
(2beta,3beta,5beta,22R)-2,3,5,14,20,22,25-heptahydroxycholest-7-en-6-one
化学式: C27H44O8 (496.3036024)
中文名称: 蕨素B
谱图信息:
最多检出来源 Chinese Herbal Medicine(otcml) 1.82%
分子结构信息
SMILES: C12[C@]([H])(CC[C@]3(C)[C@@]([H])([C@@](O)([C@H](O)CCC(O)(C)C)C)CC[C@@]13O)[C@@]1([C@@](C(=O)C=2)(O)C[C@H]([C@@H](O)C1)O)C
InChI: InChI=1S/C27H44O8/c1-22(2,32)9-8-20(30)25(5,33)19-7-11-26(34)16-12-21(31)27(35)14-18(29)17(28)13-24(27,4)15(16)6-10-23(19,26)3/h12,15,17-20,28-30,32-35H,6-11,13-14H2,1-5H3/t15-,17-,18+,19-,20+,23+,24+,25+,26+,27+/m0/s1
数据库引用编号
15 个数据库交叉引用编号
- ChEBI: CHEBI:28485
- KEGG: C08834
- PubChem: 441833
- PubChem: 271604
- ChEMBL: CHEMBL502028
- LipidMAPS: LMST01010198
- KNApSAcK: C00048523
- CAS: 18069-14-2
- PMhub: MS000016577
- PubChem: 11027
- KNApSAcK: C00003666
- 3DMET: B02444
- NIKKAJI: J16.060A
- RefMet: Polypodine B
- LOTUS: LTS0019094
分类词条
相关代谢途径
Reactome(0)
BioCyc(0)
PlantCyc(0)
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)
171 个相关的物种来源信息
- 3542 - Aizoaceae: LTS0019094
- 38595 - Ajuga: LTS0019094
- 167911 - Ajuga decumbens: 10.1021/NP990033W
- 167911 - Ajuga decumbens: LTS0019094
- 38596 - Ajuga reptans:
- 38596 - Ajuga reptans: 10.1016/0031-9422(92)83112-C
- 38596 - Ajuga reptans: 10.1016/0040-4020(95)00767-3
- 38596 - Ajuga reptans: 10.1016/0040-4020(96)00536-4
- 38596 - Ajuga reptans: 10.1016/S0031-9422(00)97527-7
- 38596 - Ajuga reptans: 10.1021/NP990033W
- 38596 - Ajuga reptans: 10.1246/CL.1982.1313
- 38596 - Ajuga reptans: LTS0019094
- 3563 - Amaranthaceae: LTS0019094
- 4210 - Asteraceae: LTS0019094
- 3550 - Atriplex: LTS0019094
- 3553 - Atriplex nummularia: 10.1016/S0367-326X(99)00159-8
- 3553 - Atriplex nummularia: LTS0019094
- 169229 - Axyris: LTS0019094
- 464020 - Axyris amaranthoides: 10.1016/S0031-9422(98)00446-4
- 464020 - Axyris amaranthoides: LTS0019094
- 83153 - Bassia: LTS0019094
- 83154 - Bassia scoparia: LTS0019094
- 49701 - Blandfordia: LTS0019094
- 49702 - Blandfordia punicea: 10.1021/NP960377B
- 49702 - Blandfordia punicea: LTS0019094
- 51506 - Blandfordiaceae: LTS0019094
- 1307778 - Blitum: LTS0019094
- 122298 - Blitum bonus-henricus: 10.1016/0031-9422(82)80057-5
- 122298 - Blitum bonus-henricus: LTS0019094
- 3568 - Caryophyllaceae: LTS0019094
- 1804623 - Chenopodiaceae: LTS0019094
- 46091 - Chenopodiastrum murale: 10.1002/(SICI)1520-6327(1999)41:1<18::AID-ARCH4>3.0.CO;2-T
- 3558 - Chenopodium: LTS0019094
- 169240 - Chenopodium baccatum: LTS0019094
- 3569 - Dianthus: LTS0019094
- 2764630 - Dianthus hoeltzeri: LTS0019094
- 2759 - Eukaryota: LTS0019094
- 82208 - Gagea: LTS0019094
- 59080 - Gagea serotina: 10.1016/S0305-1978(01)00021-7
- 59080 - Gagea serotina: LTS0019094
- 169521 - Gomphrena: 10.1016/S0305-1978(97)00106-3
- 169521 - Gomphrena: LTS0019094
- 2528985 - Gomphrena affinis: 10.1016/S0305-1978(97)00106-3
- 2528985 - Gomphrena affinis: LTS0019094
- 2528987 - Gomphrena canescens: 10.1016/S0305-1978(97)00106-3
- 2528987 - Gomphrena canescens: LTS0019094
- 2528988 - Gomphrena cunninghamii: 10.1016/S0305-1978(97)00106-3
- 2528988 - Gomphrena cunninghamii: LTS0019094
- 221775 - Gomphrena globosa: 10.1016/S0305-1978(97)00106-3
- 221775 - Gomphrena globosa: LTS0019094
- 240061 - Gomphrena haageana: 10.1016/S0305-1978(97)00106-3
- 240061 - Gomphrena haageana: LTS0019094
- 221778 - Gomphrena serrata: 10.1016/S0305-1978(97)00106-3
- 221778 - Gomphrena serrata: LTS0019094
- 267503 - Kochia: LTS0019094
- 4136 - Lamiaceae: LTS0019094
- 120594 - Lepidothamnus: LTS0019094
- 224738 - Lepidothamnus intermedius: 10.1071/CH9721935
- 224738 - Lepidothamnus intermedius: LTS0019094
- 4677 - Liliaceae: LTS0019094
- 4447 - Liliopsida: LTS0019094
- 59079 - Lloydia: LTS0019094
- 3398 - Magnoliopsida: LTS0019094
- 3629 - Malvaceae: LTS0019094
- 50362 - Melanthiaceae: LTS0019094
- 165311 - Ourisia: LTS0019094
- 292327 - Ourisia macrocarpa: 10.1016/S0305-1978(96)00083-X
- 292327 - Ourisia macrocarpa: LTS0019094
- 292330 - Ourisia macrophylla: 10.1016/S0305-1978(96)00083-X
- 292330 - Ourisia macrophylla: LTS0019094
- 49669 - Paris: LTS0019094
- 231488 - Paris quadrifolia: 10.1007/BF00574363
- 231488 - Paris quadrifolia: LTS0019094
- 221784 - Pfaffia: LTS0019094
- 451963 - Pfaffia iresinoides:
- 451963 - Pfaffia iresinoides: 10.1016/0031-9422(88)80422-9
- 451963 - Pfaffia iresinoides: 10.1016/S0031-9422(00)83865-0
- 451963 - Pfaffia iresinoides: LTS0019094
- 58019 - Pinopsida: LTS0019094
- 156152 - Plantaginaceae: LTS0019094
- 3362 - Podocarpaceae: LTS0019094
- 3275 - Polypodiaceae: LTS0019094
- 241806 - Polypodiopsida: LTS0019094
- 38352 - Polypodium: LTS0019094
- 872808 - Polypodium virginianum:
- 872808 - Polypodium virginianum: 10.1016/0021-9673(93)83461-Z
- 872808 - Polypodium virginianum: 10.1016/0031-9422(90)85339-H
- 872808 - Polypodium virginianum: 10.1016/0031-9422(96)00336-6
- 872808 - Polypodium virginianum: 10.1016/S0021-9673(01)89391-2
- 872808 - Polypodium virginianum: 10.1016/S0031-9422(97)80008-8
- 872808 - Polypodium virginianum: LTS0019094
- 58048 - Polypodium vulgare:
- 58048 - Polypodium vulgare: 10.1016/0021-9673(93)83461-Z
- 58048 - Polypodium vulgare: 10.1016/0031-9422(90)85339-H
- 58048 - Polypodium vulgare: 10.1016/0031-9422(96)00336-6
- 58048 - Polypodium vulgare: 10.1016/S0021-9673(01)89391-2
- 58048 - Polypodium vulgare: 10.1016/S0031-9422(97)80008-8
- 58048 - Polypodium vulgare: LTS0019094
- 362626 - Rhaponticum: LTS0019094
- 362630 - Rhaponticum carthamoides:
- 362630 - Rhaponticum carthamoides: 10.1007/BF00598674
- 362630 - Rhaponticum carthamoides: 10.1016/0031-9422(88)84085-8
- 362630 - Rhaponticum carthamoides: 10.1016/S0031-9422(00)90343-1
- 362636 - Rhaponticum integrifolium: 10.1007/BF02234942
- 41634 - Serratula: LTS0019094
- 143210 - Serratula coronata: 10.1007/S10600-005-0152-5
- 143210 - Serratula coronata: 10.1016/S0965-1748(01)00106-0
- 143210 - Serratula coronata: LTS0019094
- 65004 - Serratula tinctoria:
- 65004 - Serratula tinctoria: 10.1016/0965-1748(93)90098-D
- 65004 - Serratula tinctoria: 10.1055/S-2006-961485
- 65004 - Serratula tinctoria: LTS0019094
- 77655 - Sida: LTS0019094
- 1930050 - Sida szechuensis: 10.14233/AJCHEM.2014.15427
- 1930050 - Sida szechuensis: LTS0019094
- 3573 - Silene: LTS0019094
- 1137874 - Silene banksia:
- 1137874 - Silene banksia: 10.1007/BF00574584
- 1137874 - Silene banksia: 10.1007/BF00598381
- 1137874 - Silene banksia: LTS0019094
- 1937749 - Silene brahuica:
- 1937749 - Silene brahuica: 10.1007/BF00574363
- 1937749 - Silene brahuica: 10.1007/BF00574372
- 1937749 - Silene brahuica: LTS0019094
- 39855 - Silene chalcedonica: 10.1007/BF00636589
- 39855 - Silene chalcedonica: 10.1007/BF00636590
- 39855 - Silene chalcedonica: LTS0019094
- 1080098 - Silene indica:
- 1080098 - Silene indica: 10.1007/BF00575751
- 1080098 - Silene indica: 10.1007/BF00579144
- 1080098 - Silene indica: LTS0019094
- 39891 - Silene linicola:
- 39891 - Silene linicola: 10.1007/S10600-005-0040-Z
- 39891 - Silene linicola: 10.1007/S10600-017-2239-1
- 39891 - Silene linicola: LTS0019094
- 42038 - Silene nutans:
- 42038 - Silene nutans: 10.1007/BF00574250
- 42038 - Silene nutans: 10.1007/BF00575751
- 42038 - Silene nutans: LTS0019094
- 663359 - Silene turkestanica:
- 663359 - Silene turkestanica: 10.1007/BF00597854
- 663359 - Silene turkestanica: 10.1007/BF00598992
- 663359 - Silene turkestanica: LTS0019094
- 335148 - Silene viridiflora:
- 335148 - Silene viridiflora: 10.1007/BF02254804
- 335148 - Silene viridiflora: 10.1007/S10600-005-0040-Z
- 335148 - Silene viridiflora: 10.1135/CCCC20041675
- 335148 - Silene viridiflora: LTS0019094
- 1850527 - Silene wilfordii: 10.1007/BF00636589
- 1850527 - Silene wilfordii: LTS0019094
- 3561 - Spinacia: LTS0019094
- 3562 - Spinacia oleracea:
- 3562 - Spinacia oleracea: 10.1007/BF02536433
- 3562 - Spinacia oleracea: 10.1016/0021-9673(94)80112-6
- 3562 - Spinacia oleracea: 10.1016/0031-9422(82)80057-5
- 3562 - Spinacia oleracea: 10.1016/0031-9422(93)85514-R
- 3562 - Spinacia oleracea: 10.1016/S0031-9422(00)98222-0
- 3562 - Spinacia oleracea: LTS0019094
- 35493 - Streptophyta: LTS0019094
- 25623 - Taxaceae: LTS0019094
- 25628 - Taxus: LTS0019094
- 99806 - Taxus cuspidata: 10.1016/0031-9422(90)85090-3
- 99806 - Taxus cuspidata: LTS0019094
- 58023 - Tracheophyta: LTS0019094
- 3547 - Trianthema: LTS0019094
- 49674 - Trillium: LTS0019094
- 49675 - Trillium camschatcense: 10.1248/CPB.55.551
- 50545 - Trillium erectum: 10.1016/J.PHYTOCHEM.2008.10.019
- 50545 - Trillium erectum: LTS0019094
- 33090 - Viridiplantae: LTS0019094
- 54476 - Vitex: LTS0019094
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
- G T Tan, J M Pezzuto, A D Kinghorn, S H Hughes. Evaluation of natural products as inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase.
Journal of natural products.
1991 Jan; 54(1):143-54. doi:
10.1021/np50073a012. [PMID: 1710653]