Summary

IMPPAT Phytochemical identifier: IMPHY006178

Phytochemical name: Odorinol

Synonymous chemical names:
(+)-odorinol, odorinol

External chemical identifiers:
CID:6440456, ZINC:ZINC000005923638, MolPort-035-705-651

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Chemical structure information

SMILES:
CC[C@@](C(=O)N[C@H]1CCCN1C(=O)/C=C/c1ccccc1)(O)C

InChI:
InChI=1S/C18H24N2O3/c1-3-18(2,23)17(22)19-15-10-7-13-20(15)16(21)12-11-14-8-5-4-6-9-14/h4-6,8-9,11-12,15,23H,3,7,10,13H2,1-2H3,(H,19,22)/b12-11+/t15-,18+/m1/s1

InChIKey:
ZSSIVXBCHJDPDR-IHUUNXMQSA-N

DeepSMILES:
CC[C@@]C=O)N[C@H]CCCN5C=O)/C=C/cccccc6))))))))))))))))O)C

Functional groups:
CO, c/C=C/C(=O)N(C)[C@H](C)NC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)N1CCCC1

Scaffold Graph/Node level:
OC(CCC1CCCCC1)N1CCCC1

Scaffold Graph level:
CC(CCC1CCCCC1)C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Cinnamic acids and derivatives

NP-Likeness score: 0.81

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Chemical structure download