Summary

IMPPAT Phytochemical identifier: IMPHY013638

Phytochemical name: Desmethoxyaniflorine

Synonymous chemical names:
desmethoxyaniflorine

External chemical identifiers:
CID:101995827, ZINC:ZINC000013360819

---

Chemical structure information

SMILES:
CN(c1ccccc1[C@]1(O)CCn2c1nc1ccccc1c2=O)C

InChI:
InChI=1S/C19H19N3O2/c1-21(2)16-10-6-4-8-14(16)19(24)11-12-22-17(23)13-7-3-5-9-15(13)20-18(19)22/h3-10,24H,11-12H2,1-2H3/t19-/m1/s1

InChIKey:
MVNPGYCURAKAPD-LJQANCHMSA-N

DeepSMILES:
CNcccccc6[C@]O)CCnc5ncccccc6c%10=O))))))))))))))))))))C

Functional groups:
CO, c=O, cN(C)C, cn(c)C, cnc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2nc2n1CCC2c1ccccc1

Scaffold Graph/Node level:
OC1C2CCCCC2NC2C(C3CCCCC3)CCN12

Scaffold Graph level:
CC1C2CCCCC2CC2C(C3CCCCC3)CCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazanaphthalenes

ClassyFire Subclass: Benzodiazines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Quinazoline alkaloids

NP-Likeness score: -0.062

---

Chemical structure download