Summary

IMPPAT Phytochemical identifier: IMPHY002044

Phytochemical name: Suaveolol

Synonymous chemical names:
suaveolol

External chemical identifiers:
CID:11975519, ZINC:ZINC000013303186

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Chemical structure information

SMILES:
OC[C@]1(C)CCC[C@]2([C@H]1CCC1=C2CC[C@H]([C@@H]1O)C(C)C)C

InChI:
InChI=1S/C20H34O2/c1-13(2)14-6-8-16-15(18(14)22)7-9-17-19(3,12-21)10-5-11-20(16,17)4/h13-14,17-18,21-22H,5-12H2,1-4H3/t14-,17-,18-,19-,20+/m0/s1

InChIKey:
HKKHUNILUIYTQR-QOOKETHRSA-N

DeepSMILES:
OC[C@]C)CCC[C@][C@H]6CCC=C6CC[C@H][C@@H]6O))CC)C))))))))))C

Functional groups:
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: 3.121

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Chemical structure download