Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015008

Phytochemical name: Rhynchotechol

Synonymous chemical names:
rhynchotechol, Rhynchotechol

External chemical identifiers:
CID:CID_125585, SureChEMBL:SCHEMBL16226004

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Chemical structure information

SMILES:
COc1c2c(cc(c1OC)O)C(=O)c1c(C2=O)c(O)c(cc1)C

InChI:
InChI=1S/C17H14O6/c1-7-4-5-8-11(13(7)19)15(21)12-9(14(8)20)6-10(18)16(22-2)17(12)23-3/h4-6,18-19H,1-3H3

InChIKey:
ISZGKWAWCDXIJR-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC)))O)))C=O)ccC6=O))cO)ccc6))C

Functional groups:
cOC, cO, cC(=O)c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2C(=O)c2ccccc21

Scaffold Graph/Node level:
OC1C2CCCCC2C(O)C2CCCCC12

Scaffold Graph level:
CC1C2CCCCC2C(C)C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Anthracenes

ClassyFire Subclass: Anthraquinones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Polycyclic aromatic polyketides

NP Classifier Class: Anthraquinones and anthrones

NP-Likeness score: 1.523

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Chemical structure download