Summary

IMPPAT Phytochemical identifier: IMPHY015578

Phytochemical name: 2-[(7R,10R)-4,10-dimethyl-7-tricyclo[4.4.0.01,5]decanyl]propan-2-ol

Synonymous chemical names:
cubeban-11-ol

External chemical identifiers:
CID:91747362

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Chemical structure information

SMILES:
CC1CCC23C1C2C(CC[C@H]3C)C(O)(C)C

InChI:
InChI=1S/C15H26O/c1-9-7-8-15-10(2)5-6-11(14(3,4)16)13(15)12(9)15/h9-13,16H,5-8H2,1-4H3/t9?,10-,11?,12?,13?,15?/m1/s1

InChIKey:
UDKJLEWHLZPFOR-TZHGLVCPSA-N

DeepSMILES:
CCCCCC5C3CCC[C@H]7C))))CO)C)C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC23CCCC2C3C1

Scaffold Graph/Node level:
C1CCC23CCCC2C3C1

Scaffold Graph level:
C1CCC23CCCC2C3C1

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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: Cubebane sesquiterpenoids

NP-Likeness score: 3.092

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Chemical structure download