Summary

IMPPAT Phytochemical identifier: IMPHY000141

Phytochemical name: Maritidine

Synonymous chemical names:
(+)-maritidine, 3-o-maritidine, maritidine

External chemical identifiers:
CID:11185307, ZINC:ZINC000038341256

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Chemical structure information

SMILES:
COc1cc2c(cc1OC)CN1[C@@H]3[C@@]2(C=C[C@H](C3)O)CC1

InChI:
InChI=1S/C17H21NO3/c1-20-14-7-11-10-18-6-5-17(13(11)9-15(14)21-2)4-3-12(19)8-16(17)18/h3-4,7,9,12,16,19H,5-6,8,10H2,1-2H3/t12-,16+,17+/m1/s1

InChIKey:
XABKULUGCCNEKX-DQYPLSBCSA-N

DeepSMILES:
COcccccc6OC))))CN[C@@H][C@@]6C=C[C@H]C6)O))))CC5

Functional groups:
CC=CC, CN(C)C, CO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23CCN(Cc4ccccc42)C3CC1

Scaffold Graph/Node level:
C1CCC2C(C1)CN1CCC23CCCCC13

Scaffold Graph level:
C1CCC2C(C1)CC1CCC23CCCCC13

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Benzoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Amarylidaceae alkaloids, Isoquinoline alkaloids

NP-Likeness score: 2.203

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Chemical structure download