Summary

IMPPAT Phytochemical identifier: IMPHY017503

Phytochemical name: Cubane-1-ol

Synonymous chemical names:
cubanol

External chemical identifiers:
CID:57154043

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Chemical structure information

SMILES:
OC12C3C4C2C2C1C3C42

InChI:
InChI=1S/C8H8O/c9-8-5-2-1-3(5)7(8)4(1)6(2)8/h1-7,9H

InChIKey:
IRVFOVXWROKKRY-UHFFFAOYSA-N

DeepSMILES:
OCCCC4CC6C6C64

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C12C3C4C1C1C2C3C41

Scaffold Graph/Node level:
C12C3C4C1C1C2C3C41

Scaffold Graph level:
C12C3C4C1C1C2C3C41

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 1.525

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Chemical structure download