Summary

IMPPAT Phytochemical identifier: IMPHY008454

Phytochemical name: 3,8-Dimethyl-3-(4-methylpent-3-en-1-yl)-3,11-dihydropyrano[3,2-a]carbazol-9-ol

Synonymous chemical names:
isomahanine

External chemical identifiers:
CID:375148, ChEMBL:CHEMBL498436, SureChEMBL:SCHEMBL13142235, MolPort-001-740-435

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Chemical structure information

SMILES:
CC(=CCCC1(C)C=Cc2c(O1)ccc1c2[nH]c2c1cc(c(c2)O)C)C

InChI:
InChI=1S/C23H25NO2/c1-14(2)6-5-10-23(4)11-9-17-21(26-23)8-7-16-18-12-15(3)20(25)13-19(18)24-22(16)17/h6-9,11-13,24-25H,5,10H2,1-4H3

InChIKey:
WWXYBSVWYPHUPZ-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC)C=CccO6)cccc6[nH]cc5cccc6)O))C))))))))))))))))))C

Functional groups:
CC=C(C)C, cC=CC, cO, cOC, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2c(ccc3c2[nH]c2ccccc23)OC1

Scaffold Graph/Node level:
C1CCC2C(C1)NC1C3CCCOC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CC1C3CCCCC3CCC21

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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

NP-Likeness score: 2.661

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Chemical structure download