Summary

IMPPAT Phytochemical identifier: IMPHY000286

Phytochemical name: Annosquamosin C

Synonymous chemical names:
annosquamosin c, annosquamosin c (16alpha-hydro-17-hydroxy-19-nor-ent-kauran-4alpha-ol)

External chemical identifiers:
CID:11066271, ZINC:ZINC000117848702, SureChEMBL:SCHEMBL2037733

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Chemical structure information

SMILES:
OC[C@H]1C[C@@]23C[C@H]1CC[C@H]3[C@]1([C@H](CC2)[C@](C)(O)CCC1)C

InChI:
InChI=1S/C19H32O2/c1-17-7-3-8-18(2,21)15(17)6-9-19-10-13(4-5-16(17)19)14(11-19)12-20/h13-16,20-21H,3-12H2,1-2H3/t13-,14-,15+,16+,17-,18-,19+/m1/s1

InChIKey:
LZAZGDZVFQSCFO-RAGVPMNTSA-N

DeepSMILES:
OC[C@H]C[C@]C[C@H]5CC[C@H]6[C@][C@H]CC%10))[C@]C)O)CCC6)))))C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(C1)CCC13CCC(CCC21)C3

Scaffold Graph/Node level:
C1CCC2C(C1)CCC13CCC(CCC21)C3

Scaffold Graph level:
C1CCC2C(C1)CCC13CCC(CCC21)C3

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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: Norkaurane diterpenoids

NP-Likeness score: 3.304

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Chemical structure download