Summary

IMPPAT Phytochemical identifier: IMPHY015130

Phytochemical name: 10-Epi-acora-3,5-dien-11-ol

Synonymous chemical names:
10-epi-acora-3,5-dien-11-ol

External chemical identifiers:
CID:6429203

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Chemical structure information

SMILES:
CC1=CC[C@]2(C=C1)[C@H](C)CC[C@@H]2C(O)(C)C

InChI:
InChI=1S/C15H24O/c1-11-7-9-15(10-8-11)12(2)5-6-13(15)14(3,4)16/h7-9,12-13,16H,5-6,10H2,1-4H3/t12-,13-,15-/m1/s1

InChIKey:
AQVXTKFYDNDQTE-UMVBOHGHSA-N

DeepSMILES:
CC=CC[C@]C=C6))[C@H]C)CC[C@@H]5CO)C)C

Functional groups:
CC1=CCCC=C1, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2(C=C1)CCCC2

Scaffold Graph/Node level:
C1CCC2(CC1)CCCC2

Scaffold Graph level:
C1CCC2(CC1)CCCC2

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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: Acorane sesquiterpenoids

NP-Likeness score: 2.997

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Chemical structure download