Summary

IMPPAT Phytochemical identifier: IMPHY002370

Phytochemical name: Dendroxine

Synonymous chemical names:
dendroxine

Chemical structure information

SMILES:
CC([C@H]1[C@@H]2C(=O)O[C@H]1[C@@]13[C@@]4([C@H]2CC[C@@H]4CN3CCO1)C)C

InChI:
InChI=1S/C17H25NO3/c1-9(2)12-13-11-5-4-10-8-18-6-7-20-17(18,16(10,11)3)14(12)21-15(13)19/h9-14H,4-8H2,1-3H3/t10-,11+,12+,13-,14-,16+,17+/m1/s1

InChIKey:
CCEAFOJVRQZWQC-YAOTZVPTSA-N

DeepSMILES:
CC[C@H][C@@H]C=O)O[C@H]5[C@][C@@][C@H]7CC[C@@H]5CN8CCO%11)))))))))C))))))))C

Functional groups:
CN1CCO[C@]1(C)C, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OC2CC1C1CCC3CN4CCOC24C31

Scaffold Graph/Node level:
OC1OC2CC1C1CCC3CN4CCOC24C31

Scaffold Graph level:
CC1CC2CC1C1CCC3CC4CCCC42C31

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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

NP Classifier Class: Terpenoid alkaloids

NP-Likeness score: 2.67

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Chemical structure download