Summary

IMPPAT Phytochemical identifier: IMPHY000749

Phytochemical name: Pallidol

Synonymous chemical names:
pallidol

External chemical identifiers:
CID:484757, ChEMBL:CHEMBL480462, ChEBI:76173, ZINC:ZINC000032052445, SureChEMBL:SCHEMBL13169545, MolPort-039-338-753

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Chemical structure information

SMILES:
Oc1cc(O)c2c(c1)[C@@H]1[C@H]([C@@H]2c2ccc(cc2)O)c2c([C@H]1c1ccc(cc1)O)c(O)cc(c2)O

InChI:
InChI=1S/C28H22O6/c29-15-5-1-13(2-6-15)23-25-19(9-17(31)11-21(25)33)28-24(14-3-7-16(30)8-4-14)26-20(27(23)28)10-18(32)12-22(26)34/h1-12,23-24,27-34H/t23-,24-,27+,28+/m1/s1

InChIKey:
YNVJOQCPHWKWSO-ZBVBGGFBSA-N

DeepSMILES:
OcccO)ccc6)[C@@H][C@H][C@@H]5cccccc6))O))))))cc[C@H]5cccccc6))O))))))cO)ccc6)O

Functional groups:
cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2c3ccccc3C3C(c4ccccc4)c4ccccc4C23)cc1

Scaffold Graph/Node level:
C1CCC(C2C3CCCCC3C3C(C4CCCCC4)C4CCCCC4C23)CC1

Scaffold Graph level:
C1CCC(C2C3CCCCC3C3C(C4CCCCC4)C4CCCCC4C23)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Indanes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Stilbenoids

NP Classifier Class: Oligomeric stibenes

NP-Likeness score: 0.871

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Chemical structure download