Summary

IMPPAT Phytochemical identifier: IMPHY015983

Phytochemical name: Uvidin A

Synonymous chemical names:
uvidin a

External chemical identifiers:
CID:156765, ChEMBL:CHEMBL458313, FDASRS:T6FNF05DJH

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Chemical structure information

SMILES:
OC[C@@H]1[C@@]2(C)CCCC([C@@H]2C(=O)[C@H]2[C@]1(C)O2)(C)C

InChI:
InChI=1S/C15H24O3/c1-13(2)6-5-7-14(3)9(8-16)15(4)12(18-15)10(17)11(13)14/h9,11-12,16H,5-8H2,1-4H3/t9-,11+,12+,14-,15-/m1/s1

InChIKey:
AHPUPUJYVYUVKA-BRIGZHOFSA-N

DeepSMILES:
OC[C@@H][C@@]C)CCCC[C@@H]6C=O)[C@H][C@]%10C)O3)))))C)C

Functional groups:
CO, C[C@]1(C)O[C@H]1C(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C2CCCCC2CC2OC12

Scaffold Graph/Node level:
OC1C2CCCCC2CC2OC21

Scaffold Graph level:
CC1C2CCCCC2CC2CC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxepanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Drimane sesquiterpenoids

NP-Likeness score: 3.087

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Chemical structure download