Summary

IMPPAT Phytochemical identifier: IMPHY013880

Phytochemical name: 10-Hydroxycoronaridine

Synonymous chemical names:
10-hydroxycoronaridine

External chemical identifiers:
CID:156852, ChEBI:146256, SureChEMBL:SCHEMBL11889227

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Chemical structure information

SMILES:
CC[C@H]1C[C@H]2CN3[C@@H]1[C@](C2)(C(=O)OC)c1[nH]c2c(c1CC3)cc(cc2)O

InChI:
InChI=1S/C21H26N2O3/c1-3-13-8-12-10-21(20(25)26-2)18-15(6-7-23(11-12)19(13)21)16-9-14(24)4-5-17(16)22-18/h4-5,9,12-13,19,22,24H,3,6-8,10-11H2,1-2H3/t12-,13+,19+,21-/m1/s1

InChIKey:
TUZCJNZERFWZAS-YDBSYXHISA-N

DeepSMILES:
CC[C@H]C[C@H]CN[C@@H]6[C@]C6)C=O)OC)))c[nH]ccc5CC%10)))cccc6))O

Functional groups:
CN(C)C, COC(C)=O, cO, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c3c([nH]c2c1)C1CC2CCC1N(CC3)C2

Scaffold Graph/Node level:
C1CCC2C(C1)NC1C2CCN2CC3CCC2C1C3

Scaffold Graph level:
C1CCC2C(C1)CC1C2CCC2CC3CCC2C1C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Ibogan-type alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Iboga type

NP-Likeness score: 1.798

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Chemical structure download