Summary

IMPPAT Phytochemical identifier: IMPHY012927

Phytochemical name: Salvicin

Synonymous chemical names:
salvicin

External chemical identifiers:
CID:6439003

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Chemical structure information

SMILES:
OC/C=C(/CC[C@@]1(C)[C@H](C)C[C@@H]([C@@]2([C@@H]1CCC=C2C(=O)O)C)O)C

InChI:
InChI=1S/C20H32O4/c1-13(9-11-21)8-10-19(3)14(2)12-17(22)20(4)15(18(23)24)6-5-7-16(19)20/h6,9,14,16-17,21-22H,5,7-8,10-12H2,1-4H3,(H,23,24)/b13-9+/t14-,16-,17+,19+,20+/m1/s1

InChIKey:
GTOZGWPAQKVWLE-DLOZJNQXSA-N

DeepSMILES:
OC/C=C/CC[C@@]C)[C@H]C)C[C@@H][C@@][C@@H]6CCC=C6C=O)O)))))))C))O)))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: Colensane and Clerodane diterpenoids

NP-Likeness score: 3.495

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Chemical structure download