Summary

IMPPAT Phytochemical identifier: IMPHY016809

Phytochemical name: Paradisiol

Synonymous chemical names:
paradisiol

External chemical identifiers:
CID:91747420

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Chemical structure information

SMILES:
CC(=C)[C@H]1CC[C@H]2[C@@](C1)(C)CCC[C@@]2(C)O

InChI:
InChI=1S/C15H26O/c1-11(2)12-6-7-13-14(3,10-12)8-5-9-15(13,4)16/h12-13,16H,1,5-10H2,2-4H3/t12-,13-,14-,15+/m0/s1

InChIKey:
OBHWICAVQDBNLQ-ZQDZILKHSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CCCCC2C1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: Eudesmane sesquiterpenoids

NP-Likeness score: 2.43

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Chemical structure download