Summary

IMPPAT Phytochemical identifier: IMPHY013707

Phytochemical name: 12-Methoxy-8,11,13-abietatrien-20,11-olide

Synonymous chemical names:
12-methoxy- 8,11,13-abietatrien-20,11 olide

External chemical identifiers:
CID:131752355, ChEBI:174435

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Chemical structure information

SMILES:
COc1c2OC(=O)C3C4c2c(cc1C(C)C)CCC4C(CC3)(C)C

InChI:
InChI=1S/C21H28O3/c1-11(2)14-10-12-6-7-15-17-13(8-9-21(15,3)4)20(22)24-19(16(12)17)18(14)23-5/h10-11,13,15,17H,6-9H2,1-5H3

InChIKey:
NRKDGGOZWKDHMW-UHFFFAOYSA-N

DeepSMILES:
COccOC=O)CCc6ccc%10CC)C))))CCC6CCC%10))C)C

Functional groups:
cOC, cOC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1Oc2cccc3c2C2C(CCCC12)CC3

Scaffold Graph/Node level:
OC1OC2CCCC3CCC4CCCC1C4C32

Scaffold Graph level:
CC1CC2CCCC3CCC4CCCC1C4C32

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenanthrenes and derivatives

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Abietane diterpenoids, Icetexane diterpenoids, Secoabietane diterpenoids

NP-Likeness score: 2.078

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Chemical structure download