Summary

IMPPAT Phytochemical identifier: IMPHY014524

Phytochemical name: Norecasantalic acid

Synonymous chemical names:
nortricycloekasantalic acid

External chemical identifiers:
CID:100966488

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Chemical structure information

SMILES:
OC(=O)CC1(C)C2CC3C1(C)C3C2

InChI:
InChI=1S/C11H16O2/c1-10(5-9(12)13)6-3-7-8(4-6)11(7,10)2/h6-8H,3-5H2,1-2H3,(H,12,13)

InChIKey:
LDSSHHGVKDZTIX-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCC)CCCC5C)C3C6

Functional groups:
CC(=O)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1C2CC3C1C3C2

Scaffold Graph/Node level:
C1C2CC3C1C3C2

Scaffold Graph level:
C1C2CC3C1C3C2

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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: Sesquiterpenoids

NP Classifier Class: Santalane sesquiterpenoids

NP-Likeness score: 2.275

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Chemical structure download