Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID013075

Phytochemical name: (+)-Neomatatabiol

Synonymous chemical names:
neomatatabiol

External chemical identifiers:
CID:CID_442429, ChEBI:CHEBI:33

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Chemical structure information

SMILES:
C[C@@H]1CO[C@@H]([C@H]2[C@@H]1CC[C@@H]2C)O

InChI:
InChI=1S/C10H18O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h6-11H,3-5H2,1-2H3/t6-,7+,8+,9+,10-/m0/s1

InChIKey:
DUQRVHURUWMFMN-CHHOWFRJSA-N

DeepSMILES:
C[C@@H]CO[C@@H][C@H][C@@H]6CC[C@@H]5C))))))O

Functional groups:
CO[C@H](O)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCOCC2C1

Scaffold Graph/Node level:
C1CC2CCOCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Iridoids monoterpenoids

NP-Likeness score: 3.051

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Chemical structure download