Summary

IMPPAT Phytochemical identifier: IMPHY007220

Phytochemical name: Salvipisone

Synonymous chemical names:
salvipisone

External chemical identifiers:
CID:821448

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Chemical structure information

SMILES:
CC(=C)CCCc1c(C)ccc2c1C(=O)C(=O)C(=C2O)C(C)C

InChI:
InChI=1S/C20H24O3/c1-11(2)7-6-8-14-13(5)9-10-15-17(14)20(23)19(22)16(12(3)4)18(15)21/h9-10,12,21H,1,6-8H2,2-5H3

InChIKey:
VOKIUOOBDLVZMI-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCCccC)cccc6C=O)C=O)C=C6O))CC)C

Functional groups:
C=C(C)C, CC1=C(O)ccC(=O)C1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=Cc2ccccc2C1=O

Scaffold Graph/Node level:
OC1CCC2CCCCC2C1O

Scaffold Graph level:
CC1CCC2CCCCC2C1C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

ClassyFire Subclass: Naphthoquinones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Secoabietane diterpenoids

NP-Likeness score: 1.323

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Chemical structure download