Summary

IMPPAT Phytochemical identifier: IMPHY000265

Phytochemical name: (R)-Bharatamine

Synonymous chemical names:
bharatamine

External chemical identifiers:
CID:101946254

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Chemical structure information

SMILES:
COc1cc2CCN3[C@@H](c2cc1O)Cc1c(C3)cccc1

InChI:
InChI=1S/C18H19NO2/c1-21-18-9-13-6-7-19-11-14-5-3-2-4-12(14)8-16(19)15(13)10-17(18)20/h2-5,9-10,16,20H,6-8,11H2,1H3/t16-/m1/s1

InChIKey:
FNYIPYRLIHJQLI-MRXNPFEDSA-N

DeepSMILES:
COcccCCN[C@@H]c6cc%10O))))CccC6)cccc6

Functional groups:
CN(C)C, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1c3ccccc3CCN1C2

Scaffold Graph/Node level:
C1CCC2CN3CCC4CCCCC4C3CC2C1

Scaffold Graph level:
C1CCC2CC3C(CCC4CCCCC43)CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Protoberberine alkaloids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids, Protoberberine alkaloids

NP-Likeness score: 0.845

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Chemical structure download