Summary

IMPPAT Phytochemical identifier: IMPHY007592

Phytochemical name: Pimarane

Synonymous chemical names:
pimarane resin acid

External chemical identifiers:
CID:9548698, ChEBI:36547, ZINC:ZINC000064624211

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Chemical structure information

SMILES:
CC[C@]1(C)CC[C@H]2[C@H](C1)CC[C@@H]1[C@]2(C)CCCC1(C)C

InChI:
InChI=1S/C20H36/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h15-17H,6-14H2,1-5H3/t15-,16-,17-,19+,20+/m0/s1

InChIKey:
GZHFBZCDMVGRTI-HROONELDSA-N

DeepSMILES:
CC[C@]C)CC[C@H][C@H]C6)CC[C@@H][C@]6C)CCCC6C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(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: Norpimarane and Norisopimarane diterpenoids, Pimarane and Isopimarane diterpenoids

NP-Likeness score: 2.22

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Chemical structure download