Summary

IMPPAT Phytochemical identifier: IMPHY014310

Phytochemical name: Argentatin D

Synonymous chemical names:
argentatin d

External chemical identifiers:
CID:14527158

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Chemical structure information

SMILES:
C[C@@H]1CC[C@@H](O[C@@H]2[C@H]1[C@@]1(C)CC[C@@]34[C@H]([C@@]1(C2)C)CC[C@@H]1[C@]4(C3)CC[C@@H](C1(C)C)O)C(O)(C)C

InChI:
InChI=1S/C30H50O3/c1-18-8-11-23(26(4,5)32)33-19-16-28(7)21-10-9-20-25(2,3)22(31)12-13-29(20)17-30(21,29)15-14-27(28,6)24(18)19/h18-24,31-32H,8-17H2,1-7H3/t18-,19+,20+,21+,22+,23-,24+,27-,28+,29-,30+/m1/s1

InChIKey:
IMZLIOGSDVHHAJ-XZHHXOSXSA-N

DeepSMILES:
C[C@@H]CC[C@@H]O[C@@H][C@H]7[C@@]C)CC[C@][C@H][C@@]6C9)C))CC[C@@H][C@]6C7)CC[C@@H]C6C)C))O))))))))))))))))CO)C)C

Functional groups:
CO, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(CC3C2CCC24CC25CCCCC5CCC34)OC1

Scaffold Graph/Node level:
C1CCC2C(CC3C2CCC24CC25CCCCC5CCC34)OC1

Scaffold Graph level:
C1CCC2CC3C(CCC45CC46CCCCC6CCC35)C2CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Steroids and steroid derivatives

ClassyFire Subclass: Cycloartanols and derivatives

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Cycloartane triterpenoids

NP-Likeness score: 3.307

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Chemical structure download