Summary

IMPPAT Phytochemical identifier: IMPHY000477

Phytochemical name: Dendramine

Synonymous chemical names:
6-hydroxydendrobine, dendramine

Chemical structure information

SMILES:
CC([C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1([C@]3([C@@H]2N(C)C[C@H]3CC1)C)O)C

InChI:
InChI=1S/C16H25NO3/c1-8(2)10-11-14(18)20-12(10)13-15(3)9(7-17(13)4)5-6-16(11,15)19/h8-13,19H,5-7H2,1-4H3/t9-,10+,11-,12-,13-,15-,16-/m1/s1

InChIKey:
QSNCUGULHPBRGR-FYPZSMAZSA-N

DeepSMILES:
CC[C@@H][C@H]OC=O)[C@@H]5[C@][C@][C@@H]7NC)C[C@H]5CC8))))))C))O)))))))C

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

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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: 2.999

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Chemical structure download