Summary

IMPPAT Phytochemical identifier: IMPHY013569

Phytochemical name: Dictamnol

Synonymous chemical names:
dictamnol

External chemical identifiers:
CID:91746503

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Chemical structure information

SMILES:
C=C1CCC=CC2C1CC[C@]2(C)O

InChI:
InChI=1S/C12H18O/c1-9-5-3-4-6-11-10(9)7-8-12(11,2)13/h4,6,10-11,13H,1,3,5,7-8H2,2H3/t10?,11?,12-/m0/s1

InChIKey:
FIZZAWTVIDYQPI-MCIGGMRASA-N

DeepSMILES:
C=CCCC=CCC7CC[C@]5C)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC=CC2CCCC12

Scaffold Graph/Node level:
CC1CCCCC2CCCC12

Scaffold Graph level:
CC1CCCCC2CCCC12

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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: Guaiane sesquiterpenoids

NP-Likeness score: 3.439

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Chemical structure download