Summary

IMPPAT Phytochemical identifier: IMPHY003011

Phytochemical name: Tephrorin A

Synonymous chemical names:
(+)-tephrorin a

External chemical identifiers:
CID:42607798, ChEBI:166614

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Chemical structure information

SMILES:
COc1ccc2c(c1C1[C@@H](O)OC([C@H]1OC(=O)C)(C)C)O[C@@H](CC2=O)c1ccccc1

InChI:
InChI=1S/C24H26O7/c1-13(25)29-22-20(23(27)31-24(22,2)3)19-17(28-4)11-10-15-16(26)12-18(30-21(15)19)14-8-6-5-7-9-14/h5-11,18,20,22-23,27H,12H2,1-4H3/t18-,20?,22-,23-/m0/s1

InChIKey:
GSLOHPSPTJDYHS-JLWWHIBLSA-N

DeepSMILES:
COcccccc6C[C@@H]O)OC[C@H]5OC=O)C))))C)C))))))O[C@@H]CC6=O)))cccccc6

Functional groups:
CC(=O)OC, CO[C@@H](C)O, cC(C)=O, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2c1cccc2C1CCOC1

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C1CCCC2C1CCOC1

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C1CCCC2C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 1.944

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Chemical structure download