Summary

IMPPAT Phytochemical identifier: IMPHY004406

Phytochemical name: (1aR,7bS)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalen-4-ol

Synonymous chemical names:
9-aristolen-1-alpha-ol

External chemical identifiers:
CID:5320089

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Chemical structure information

SMILES:
OC1CCC(C2(C1=CC[C@@H]1[C@H]2C1(C)C)C)C

InChI:
InChI=1S/C15H24O/c1-9-5-8-12(16)10-6-7-11-13(14(11,2)3)15(9,10)4/h6,9,11-13,16H,5,7-8H2,1-4H3/t9?,11-,12?,13+,15?/m1/s1

InChIKey:
CSUIUQRZISBPSM-BFFWXLLSSA-N

DeepSMILES:
OCCCCCC6=CC[C@@H][C@H]6C3C)C)))))))C))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2C2CC2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Aristolane sesquiterpenoids

NP-Likeness score: 3.612

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Chemical structure download