Summary

IMPPAT Phytochemical identifier: IMPHY017946

Phytochemical name: Acorα-2,4(15)-dien-11-ol

Synonymous chemical names:
acorα-2,4(15)-dien-11-ol

Chemical structure information

SMILES:
C=C1CC[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,1,5-6,8,10H2,2-4H3/t12-,13+,15+/m1/s1

InChIKey:
RWWKEKDASZBAER-IPYPFGDCSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CC2(CCCC2)CC1

Scaffold Graph/Node level:
CC1CCC2(CCCC2)CC1

Scaffold Graph level:
CC1CCC2(CCCC2)CC1

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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: 3.188

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Chemical structure download