Summary

IMPPAT Phytochemical identifier: IMPHY015402

Phytochemical name: 5,8-Cyclocaryophyllan-4-ol

Synonymous chemical names:
5,8-cyclocaryophyllan-4-ol

External chemical identifiers:
CID:14657398

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Chemical structure information

SMILES:
CC1(C)C[C@H]2[C@H]1CC[C@@]([C@H]1[C@]2(C)CC1)(C)O

InChI:
InChI=1S/C15H26O/c1-13(2)9-11-10(13)5-8-15(4,16)12-6-7-14(11,12)3/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15-/m1/s1

InChIKey:
CPLGPDHGFNXBOA-BUONHZGMSA-N

DeepSMILES:
CCC)C[C@H][C@H]4CC[C@@][C@H][C@]7C)CC4))))C)O

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC2C2CCC2C1

Scaffold Graph/Node level:
C1CC2CCC2C2CCC2C1

Scaffold Graph level:
C1CC2CCC2C2CCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Presilphiperfolane and Probotryane sesquiterpenoids

NP-Likeness score: 3.12

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Chemical structure download