Summary

IMPPAT Phytochemical identifier: IMPHY012378

Phytochemical name: Clivonidine

Synonymous chemical names:
clivonidine

External chemical identifiers:
CID:158983

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Chemical structure information

SMILES:
CN1CC[C@H]2[C@@H]1[C@H]1[C@H](C=C2)OC(=O)c2c1cc1OCOc1c2

InChI:
InChI=1S/C17H17NO4/c1-18-5-4-9-2-3-12-15(16(9)18)10-6-13-14(21-8-20-13)7-11(10)17(19)22-12/h2-3,6-7,9,12,15-16H,4-5,8H2,1H3/t9-,12-,15+,16+/m0/s1

InChIKey:
JURSEYXUEPDEHA-QVBPEQDCSA-N

DeepSMILES:
CNCC[C@H][C@@H]5[C@H][C@H]C=C6))OC=O)cc6ccOCOc5c9

Functional groups:
CC=CC, CN(C)C, c1cOCO1, cC(=O)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OC2C=CC3CCNC3C2c2cc3c(cc21)OCO3

Scaffold Graph/Node level:
OC1OC2CCC3CCNC3C2C2CC3OCOC3CC12

Scaffold Graph level:
CC1CC2CCC3CCCC3C2C2CC3CCCC3CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Amaryllidaceae alkaloids

ClassyFire Subclass: Homolycorine-type amaryllidaceae alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Amarylidaceae alkaloids, Morphinan alkaloids

NP-Likeness score: 1.398

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Chemical structure download