Summary

IMPPAT Phytochemical identifier: IMPHY013637

Phytochemical name: Dendrine

Synonymous chemical names:
dendrine

External chemical identifiers:
CID:101981632

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Chemical structure information

SMILES:
COC(=O)C[C@H]1N(C)[C@H]2[C@]3([C@@H]1CC[C@H]3[C@H]1[C@@H]([C@H]2OC1=O)C(C)C)C

InChI:
InChI=1S/C19H29NO4/c1-9(2)14-15-11-7-6-10-12(8-13(21)23-5)20(4)17(19(10,11)3)16(14)24-18(15)22/h9-12,14-17H,6-8H2,1-5H3/t10-,11+,12-,14+,15+,16-,17-,19+/m1/s1

InChIKey:
IAIIJNHQMKXPHL-SJKXWSOMSA-N

DeepSMILES:
COC=O)C[C@H]NC)[C@H][C@][C@@H]5CC[C@H]5[C@H][C@@H][C@H]9OC5=O))))CC)C))))))))C

Functional groups:
CC(=O)OC, CN(C)C, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OC2CC1C1CCC3CNC2C31

Scaffold Graph/Node level:
OC1OC2CC1C1CCC3CNC2C31

Scaffold Graph level:
CC1CC2CC1C1CCC3CCC2C31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

NP Classifier Biosynthetic pathway: Alkaloids, Terpenoids

NP Classifier Superclass: Pseudoalkaloids, Sesquiterpenoids

NP Classifier Class: Picrotoxane sesquiterpenoids, Terpenoid alkaloids

NP-Likeness score: 2.271

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Chemical structure download