Summary

IMPPAT Phytochemical identifier: IMPHY009716

Phytochemical name: Cedroxide

Synonymous chemical names:
cedranoxide, cedroxide

External chemical identifiers:
CID:6427485

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Chemical structure information

SMILES:
C[C@@H]1CCC2[C@@]31CC[C@@]1([C@H](C3)[C@H]2CO1)C

InChI:
InChI=1S/C14H22O/c1-9-3-4-11-10-8-15-13(2)5-6-14(9,11)7-12(10)13/h9-12H,3-8H2,1-2H3/t9-,10+,11?,12-,13-,14+/m1/s1

InChIKey:
XTUCGACHIRHVPO-UOHALXPSSA-N

DeepSMILES:
C[C@@H]CCC[C@]5CC[C@@][C@H]C6)[C@H]7CO5))))C

Functional groups:
COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2C3COC4CCC2(C1)CC43

Scaffold Graph/Node level:
C1CC2C3COC4CCC2(C1)CC43

Scaffold Graph level:
C1CC2C3CCC4CCC2(C1)CC43

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Tetrahydrofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cubebane sesquiterpenoids

NP-Likeness score: 3.206

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Chemical structure download