Summary

IMPPAT Phytochemical identifier: IMPHY008035

Phytochemical name: Homalomenol B

Synonymous chemical names:
homalomenol b

External chemical identifiers:
CID:101634633, ChEBI:132901, ZINC:ZINC000238769039

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Chemical structure information

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

InChI:
InChI=1S/C15H26O2/c1-10(2)9-11-5-7-14(3)12(16)6-8-15(4,17)13(11)14/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,14+,15+/m1/s1

InChIKey:
PECCCWAOADXQBC-ZSAUSMIDSA-N

DeepSMILES:
CC=C)C[C@H]CC[C@@][C@@H]5[C@@]C)O)CC[C@H]6O))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CCCC2C1

Scaffold Graph/Node level:
C1CCC2CCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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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: Oppositane sesquiterpenoids

NP-Likeness score: 2.901

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Chemical structure download