Summary

IMPPAT Phytochemical identifier: IMPHY006804

Phytochemical name: (R)-3,5-Dimethyl-3-(4-methylpent-3-en-1-yl)-3,11-dihydropyrano[3,2-a]carbazol-9-ol

Synonymous chemical names:
mahanine

External chemical identifiers:
CID:36689305, ZINC:ZINC000001634347, SureChEMBL:SCHEMBL18317471

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Chemical structure information

SMILES:
CC(=CCC[C@]1(C)C=Cc2c(O1)c(C)cc1c2[nH]c2c1ccc(c2)O)C

InChI:
InChI=1S/C23H25NO2/c1-14(2)6-5-10-23(4)11-9-18-21-19(12-15(3)22(18)26-23)17-8-7-16(25)13-20(17)24-21/h6-9,11-13,24-25H,5,10H2,1-4H3/t23-/m1/s1

InChIKey:
DWMBXHWBPZZCTN-HSZRJFAPSA-N

DeepSMILES:
CC=CCC[C@]C)C=CccO6)cC)ccc6[nH]cc5cccc6)O)))))))))))))))))))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: 2.721

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Chemical structure download