Summary

IMPPAT Phytochemical identifier: IMPHY012344

Phytochemical name: (2aS,4aR)-2,2,4a,8-tetramethyl-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-8-ol

Synonymous chemical names:
panasinsanol b

External chemical identifiers:
CID:131039

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Chemical structure information

SMILES:
CC1(C)CC23[C@H]1CC[C@@]3(C)CCCC2(C)O

InChI:
InChI=1S/C15H26O/c1-12(2)10-15-11(12)6-9-13(15,3)7-5-8-14(15,4)16/h11,16H,5-10H2,1-4H3/t11-,13+,14?,15?/m0/s1

InChIKey:
ZEQZCZRDJPTCHI-MWTAGDMHSA-N

DeepSMILES:
CCC)CC[C@H]4CC[C@@]5C)CCCC9C)O

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC23CCC2CCC3C1

Scaffold Graph/Node level:
C1CCC23CCC2CCC3C1

Scaffold Graph level:
C1CCC23CCC2CCC3C1

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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: Panasinsane sesquiterpenoids

NP-Likeness score: 2.974

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Chemical structure download