Summary

IMPPAT Phytochemical identifier: IMPHY012505

Phytochemical name: Crinamidine

Synonymous chemical names:
crinamidine

External chemical identifiers:
CID:399204, ChEBI:31436, ZINC:ZINC000004102375

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Chemical structure information

SMILES:
COc1c2CN3CC[C@]4(c2cc2c1OCO2)[C@H]3C[C@H]([C@H]1[C@@H]4O1)O

InChI:
InChI=1S/C17H19NO5/c1-20-13-8-6-18-3-2-17(9(8)4-11-15(13)22-7-21-11)12(18)5-10(19)14-16(17)23-14/h4,10,12,14,16,19H,2-3,5-7H2,1H3/t10-,12-,14+,16+,17+/m1/s1

InChIKey:
HHEOZJCKMANJQV-CUQLUGJVSA-N

DeepSMILES:
COccCNCC[C@]c7ccc%11OCO5)))))))[C@H]5C[C@H][C@H][C@@H]6O3)))O

Functional groups:
CN(C)C, CO, C[C@H]1O[C@H]1C, c1cOCO1, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1c2c(cc3c1OCO3)C13CCN(C2)C1CCC1OC13

Scaffold Graph/Node level:
C1OC2CC3CN4CCC5(C3CC2O1)C1OC1CCC45

Scaffold Graph level:
C1CC2CC3CC4CCC5(C4CCC4CC45)C3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Amaryllidaceae alkaloids

ClassyFire Subclass: Crinine- and haemanthamine-type amaryllidaceae alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Amarylidaceae alkaloids, Isoquinoline alkaloids

NP-Likeness score: 2.679

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Chemical structure download