Summary

IMPPAT Phytochemical identifier: IMPHY000559

Phytochemical name: (+)-Alangimaridine

Synonymous chemical names:
alangimaridine

External chemical identifiers:
CID:10853265, ZINC:ZINC000013309738

---

Chemical structure information

SMILES:
COc1cc2CCN3[C@@H](c2cc1O)Cc1c(C3=O)cncc1C=C

InChI:
InChI=1S/C19H18N2O3/c1-3-11-9-20-10-15-13(11)7-16-14-8-17(22)18(24-2)6-12(14)4-5-21(16)19(15)23/h3,6,8-10,16,22H,1,4-5,7H2,2H3/t16-/m1/s1

InChIKey:
JWDQRUUCHPMNSY-MRXNPFEDSA-N

DeepSMILES:
COcccCCN[C@@H]c6cc%10O))))CccC6=O))cncc6C=C

Functional groups:
cC(=O)N(C)C, cC=C, cO, cOC, cnc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2cnccc2CC2c3ccccc3CCN12

Scaffold Graph/Node level:
OC1C2CNCCC2CC2C3CCCCC3CCN12

Scaffold Graph level:
CC1C2CCCCC2CC2C3CCCCC3CCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazanaphthalenes

ClassyFire Subclass: Naphthyridines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids

NP-Likeness score: 0.961

---

Chemical structure download