Summary

IMPPAT Phytochemical identifier: IMPHY000100

Phytochemical name: Allohimachalol

Synonymous chemical names:
allo-himachalol, allohimachalol

External chemical identifiers:
CID:10585158, ZINC:ZINC000013311163

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Chemical structure information

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

InChI:
InChI=1S/C15H26O/c1-11-6-7-13(16)15(4)9-5-8-14(2,3)12(15)10-11/h10,12-13,16H,5-9H2,1-4H3/t12-,13-,15-/m1/s1

InChIKey:
ZLJPQFLGGAYZAN-UMVBOHGHSA-N

DeepSMILES:
CC=C[C@@H]CC)C)CCC[C@]6[C@@H]CC%11))O))C

Functional groups:
CC(C)=CC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC2CCC1

Scaffold Graph/Node level:
C1CCC2CCCCC2CC1

Scaffold Graph level:
C1CCC2CCCCC2CC1

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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: Allohimachalane sesquiterpenoids

NP-Likeness score: 3.056

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Chemical structure download