Summary

IMPPAT Phytochemical identifier: IMPHY016944

Phytochemical name: (1R,2S,5R,8R)-2,6,6-trimethyl-7-methylidenetricyclo[6.2.1.01,5]undecan-2-ol

Synonymous chemical names:
preziza-7(15)-en-3α-ol

External chemical identifiers:
CID:102145676

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Chemical structure information

SMILES:
C=C1[C@@H]2CC[C@@]3(C2)[C@@H](C1(C)C)CC[C@]3(C)O

InChI:
InChI=1S/C15H24O/c1-10-11-5-8-15(9-11)12(13(10,2)3)6-7-14(15,4)16/h11-12,16H,1,5-9H2,2-4H3/t11-,12-,14+,15-/m1/s1

InChIKey:
PDBINYQIGOLMDH-RJZRQDKASA-N

DeepSMILES:
C=C[C@@H]CC[C@@]C5)[C@@H]C7C)C))CC[C@]5C)O

Functional groups:
C=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC2CCCC23CCC1C3

Scaffold Graph/Node level:
CC1CC2CCCC23CCC1C3

Scaffold Graph level:
CC1CC2CCCC23CCC1C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Prezizaane sesquiterpenoids

NP-Likeness score: 3.082

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Chemical structure download