Summary

IMPPAT Phytochemical identifier: IMPHY002261

Phytochemical name: Leucasdin C

Synonymous chemical names:
leucasdin c

External chemical identifiers:
CID:101412155

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Chemical structure information

SMILES:
CC([C@]1(O)CC2=CC[C@@H]3[C@]([C@H]2C[C@H]1O)(C)CCC[C@@]3(C)C(=O)O)C

InChI:
InChI=1S/C20H32O4/c1-12(2)20(24)11-13-6-7-15-18(3,14(13)10-16(20)21)8-5-9-19(15,4)17(22)23/h6,12,14-16,21,24H,5,7-11H2,1-4H3,(H,22,23)/t14-,15+,16+,18+,19+,20+/m0/s1

InChIKey:
VSIFYEMLGOJJIH-ZEEKQVTDSA-N

DeepSMILES:
CC[C@]O)CC=CC[C@@H][C@][C@H]6C[C@H]%10O))))C)CCC[C@@]6C)C=O)O)))))))))))))C

Functional groups:
CC(=O)O, CC=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2C2CCCCC2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Abietane diterpenoids

NP-Likeness score: 3.013

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Chemical structure download