Summary

IMPPAT Phytochemical identifier: IMPHY003640

Phytochemical name: Caryolan-8-ol

Synonymous chemical names:
caryolan-8-ol

External chemical identifiers:
CID:91746499

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Chemical structure information

SMILES:
C[C@]12CCC[C@](C2)(O)C2C(CC1)C(C2)(C)C

InChI:
InChI=1S/C15H26O/c1-13(2)9-12-11(13)5-8-14(3)6-4-7-15(12,16)10-14/h11-12,16H,4-10H2,1-3H3/t11?,12?,14-,15+/m0/s1

InChIKey:
FUQAYSQLAOJBBC-CXTZMWEQSA-N

DeepSMILES:
C[C@@]CCC[C@]C6)O)CCCC9))CC4)C)C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC3CCC3C(C1)C2

Scaffold Graph/Node level:
C1CC2CCC3CCC3C(C1)C2

Scaffold Graph level:
C1CC2CCC3CCC3C(C1)C2

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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 Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Caryolane sesquiterpenoids, Caryophyllane sesquiterpenoids

NP-Likeness score: 2.916

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Chemical structure download