Summary

IMPPAT Phytochemical identifier: IMPHY012408

Phytochemical name: Nimbosone

Synonymous chemical names:
nimbosone

External chemical identifiers:
CID:177090

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Chemical structure information

SMILES:
COc1cc2c(cc1C(=O)C)CC[C@@H]1[C@]2(C)CCCC1(C)C

InChI:
InChI=1S/C20H28O2/c1-13(21)15-11-14-7-8-18-19(2,3)9-6-10-20(18,4)16(14)12-17(15)22-5/h11-12,18H,6-10H2,1-5H3/t18-,20+/m0/s1

InChIKey:
CAMSIQFCDJQXMD-AZUAARDMSA-N

DeepSMILES:
COcccccc6C=O)C))))CC[C@@H][C@]6C)CCCC6C)C

Functional groups:
cC(C)=O, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCC1CCCCC21

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: Podocarpane diterpenoids

NP-Likeness score: 1.738

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Chemical structure download