Summary

IMPPAT Phytochemical identifier: IMPHY013144

Phytochemical name: Salviol

Synonymous chemical names:
salviol

External chemical identifiers:
CID:13966146, ChEBI:138944, ZINC:ZINC000013302087

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Chemical structure information

SMILES:
O[C@H]1CC(C)(C)[C@H]2[C@@](C1)(C)c1cc(O)c(cc1CC2)C(C)C

InChI:
InChI=1S/C20H30O2/c1-12(2)15-8-13-6-7-18-19(3,4)10-14(21)11-20(18,5)16(13)9-17(15)22/h8-9,12,14,18,21-22H,6-7,10-11H2,1-5H3/t14-,18-,20+/m0/s1

InChIKey:
PRYXPGFZVGZNBL-ADLFWFRXSA-N

DeepSMILES:
O[C@H]CCC)C)[C@H][C@@]C6)C)cccO)ccc6CC%10))))CC)C

Functional groups:
CO, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(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: 2.435

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Chemical structure download