Summary

IMPPAT Phytochemical identifier: IMPHY011287

Phytochemical name: 10-Hydroxyakuammicine

Synonymous chemical names:
sewarine

External chemical identifiers:
CID:6436282, ZINC:ZINC000033953238

---

Chemical structure information

SMILES:
COC(=O)C1=C2Nc3c([C@@]42[C@@H]2C[C@H]1/C(=C/C)/CN2CC4)cc(cc3)O

InChI:
InChI=1S/C20H22N2O3/c1-3-11-10-22-7-6-20-14-8-12(23)4-5-15(14)21-18(20)17(19(24)25-2)13(11)9-16(20)22/h3-5,8,13,16,21,23H,6-7,9-10H2,1-2H3/b11-3+/t13-,16-,20+/m0/s1

InChIKey:
BVYFBTHLXBZJTR-DQRCLVLDSA-N

DeepSMILES:
COC=O)C=CNcc[C@]5[C@@H]C[C@H]9/C=C/C))/CN6CC9)))))))))cccc6))O

Functional groups:
C/C=C(C)C, CN(C)C, cNC(C)=C(C)C(=O)OC, cO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CN2CCC34C(=CC1CC23)Nc1ccccc14

Scaffold Graph/Node level:
CC1CN2CCC34C(CC1CC23)NC1CCCCC14

Scaffold Graph level:
CC1CC2CCC34C(CC1CC23)CC1CCCCC14

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Strychnos alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type, Strychnos type

NP-Likeness score: 2.327

---

Chemical structure download