Summary

IMPPAT Phytochemical identifier: IMPHY005270

Phytochemical name: Govanine

Synonymous chemical names:
govanine

External chemical identifiers:
CID:185942

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Chemical structure information

SMILES:
COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)cc(c(c1)OC)OC

InChI:
InChI=1S/C20H23NO4/c1-23-18-7-12-4-5-21-11-14-9-20(25-3)19(24-2)8-13(14)6-16(21)15(12)10-17(18)22/h7-10,16,22H,4-6,11H2,1-3H3/t16-/m0/s1

InChIKey:
YCBKBUUDECGKKX-INIZCTEOSA-N

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

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: 0.89

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Chemical structure download