Summary

IMPPAT Phytochemical identifier: IMPHY016749

Phytochemical name: Methyl levopimarate

Synonymous chemical names:
methyl levopimarate

External chemical identifiers:
CID:13710755, ZINC:ZINC000034130232, FDASRS:ZOE40MQK34

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Chemical structure information

SMILES:
COC(=O)[C@]1(C)CCC[C@]2([C@H]1CCC1=CC(=CC[C@H]21)C(C)C)C

InChI:
InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,13-14,17-18H,6,8-12H2,1-5H3/t17-,18+,20+,21+/m0/s1

InChIKey:
SGPKKYHABMKBPF-UYWIDEMCSA-N

DeepSMILES:
COC=O)[C@]C)CCC[C@][C@H]6CCC=CC=CC[C@H]%106)))CC)C))))))))C

Functional groups:
CC1=CCCC(C)=C1, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2C(=C1)CCC1CCCCC12

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: 2.745

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Chemical structure download