Summary

IMPPAT Phytochemical identifier: IMPHY006642

Phytochemical name: 10-Bromo-5,12-dihydroindolo[2,3-g]carbazole-2,3-diol

Synonymous chemical names:
asteropusazole a, bis-indole alkaloid

External chemical identifiers:
CID:71447337, ChEMBL:CHEMBL2431343

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Chemical structure information

SMILES:
Brc1ccc2c(c1)[nH]c1c2ccc2c1c1cc(O)c(cc1[nH]2)O

InChI:
InChI=1S/C18H11BrN2O2/c19-8-1-2-9-10-3-4-12-17(18(10)21-13(9)5-8)11-6-15(22)16(23)7-14(11)20-12/h1-7,20-23H

InChIKey:
TYGUTURXHKSOBP-UHFFFAOYSA-N

DeepSMILES:
Brcccccc6)[nH]cc5cccc6cccO)ccc6[nH]9)))O

Functional groups:
cBr, cO, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)[nH]c1c2ccc2[nH]c3ccccc3c21

Scaffold Graph/Node level:
C1CCC2C(C1)NC1C2CCC2NC3CCCCC3C21

Scaffold Graph level:
C1CCC2C(C1)CC1C2CCC2CC3CCCCC3C21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Carbazoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carbazole alkaloids, Carboline alkaloids

NP-Likeness score: 0.81

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Chemical structure download