Summary

IMPPAT Phytochemical identifier: IMPHY011483

Phytochemical name: (1R,4S,5S,6S,8S,9S)-5,8-dihydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-one

Synonymous chemical names:
serratinine

External chemical identifiers:
CID:11231303, ZINC:ZINC000137337467

---

Chemical structure information

SMILES:
C[C@H]1C[C@H](O)[C@]23[C@@H]([C@H]1O)CC(=O)[C@]13CCCN1CCC2

InChI:
InChI=1S/C16H25NO3/c1-10-8-12(18)15-4-2-6-17-7-3-5-16(15,17)13(19)9-11(15)14(10)20/h10-12,14,18,20H,2-9H2,1H3/t10-,11+,12-,14-,15+,16-/m0/s1

InChIKey:
XPIVPCYGYLMOCY-KZQACRCDSA-N

DeepSMILES:
C[C@H]C[C@H]O)[C@@][C@@H][C@H]6O))CC=O)[C@@]5CCCN5CCC%12

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCCC23CCCN2CCCC123

Scaffold Graph/Node level:
OC1CC2CCCCC23CCCN2CCCC123

Scaffold Graph level:
CC1CC2CCCCC23CCCC2CCCC123

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Azaspirodecane derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Quinolizidine alkaloids

NP-Likeness score: 2.741

---

Chemical structure download