Summary

IMPPAT Phytochemical identifier: IMPHY002531

Phytochemical name: 2alpha-Hydroxycostic acid

Synonymous chemical names:
2-hydroxycostic acid, 2α-hydroxycostic acid

External chemical identifiers:
CID:13995524, ZINC:ZINC000005539941

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Chemical structure information

SMILES:
O[C@H]1CC(=C)[C@H]2[C@@](C1)(C)CC[C@H](C2)C(=C)C(=O)O

InChI:
InChI=1S/C15H22O3/c1-9-6-12(16)8-15(3)5-4-11(7-13(9)15)10(2)14(17)18/h11-13,16H,1-2,4-8H2,3H3,(H,17,18)/t11-,12+,13+,15+/m1/s1

InChIKey:
OJYAVFSVHFLUKN-OSFYFWSMSA-N

DeepSMILES:
O[C@H]CC=C)[C@H][C@@]C6)C)CC[C@H]C6)C=C)C=O)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CCCCC12

Scaffold Graph/Node level:
CC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eudesmane sesquiterpenoids

NP-Likeness score: 3.07

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Chemical structure download