Summary

IMPPAT Phytochemical identifier: IMPHY006044

Phytochemical name: Suaveolic acid

Synonymous chemical names:
suaveolic acid

External chemical identifiers:
CID:76685109, ZINC:ZINC000013303194

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Chemical structure information

SMILES:
CC([C@@H]1CCC2=C([C@H]1O)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O)C

InChI:
InChI=1S/C20H32O3/c1-12(2)13-6-8-15-14(17(13)21)7-9-16-19(15,3)10-5-11-20(16,4)18(22)23/h12-13,16-17,21H,5-11H2,1-4H3,(H,22,23)/t13-,16+,17-,19+,20+/m0/s1

InChIKey:
SXGCIBIVJREBBY-OXFYLXMTSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2=C(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: Abietane diterpenoids

NP-Likeness score: 3

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Chemical structure download