Summary

IMPPAT Phytochemical identifier: IMPHY009330

Phytochemical name: Oplodiol

Synonymous chemical names:
eudesm-7-en-1b,4β-diol(oplodiol), oplodiol

External chemical identifiers:
CID:12313756, ChEMBL:CHEMBL465432, ChEBI:132903, ZINC:ZINC000040875123, MolPort-039-052-525

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Chemical structure information

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

InChI:
InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3)12(9-11)15(4,17)8-6-13(14)16/h5,10,12-13,16-17H,6-9H2,1-4H3/t12-,13-,14-,15+/m1/s1

InChIKey:
SOZSXJHFVBBAOY-TUVASFSCSA-N

DeepSMILES:
CCC=CC[C@@][C@@H]C6)[C@@]C)O)CC[C@H]6O))))))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2CCCCC2C1

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: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eudesmane sesquiterpenoids

NP-Likeness score: 3.087

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Chemical structure download