Summary

IMPPAT Phytochemical identifier: IMPHY006706

Phytochemical name: Norhardwickiic acid

Synonymous chemical names:
norhardwickiic acid

External chemical identifiers:
CID:71355867, ZINC:ZINC000085973487

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Chemical structure information

SMILES:
OC(=O)CC[C@@]1(C)[C@H](C)CC[C@@]2([C@@H]1CCC=C2C(=O)O)C

InChI:
InChI=1S/C17H26O4/c1-11-7-9-17(3)12(15(20)21)5-4-6-13(17)16(11,2)10-8-14(18)19/h5,11,13H,4,6-10H2,1-3H3,(H,18,19)(H,20,21)/t11-,13-,16+,17+/m1/s1

InChIKey:
FCJKOBAGJCMBSO-AQMVCYDESA-N

DeepSMILES:
OC=O)CC[C@@]C)[C@H]C)CC[C@@][C@@H]6CCC=C6C=O)O)))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Colensane and Clerodane diterpenoids

NP-Likeness score: 2.89

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Chemical structure download