Summary

IMPPAT Phytochemical identifier: IMPHY007579

Phytochemical name: (4aR,5S,6S,8aS)-1,1,4a,5,6-pentamethyldecahydronaphthalene

Synonymous chemical names:
drimane

External chemical identifiers:
CID:9548719, ChEBI:36474, ZINC:ZINC000064624168

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Chemical structure information

SMILES:
C[C@H]1CC[C@@H]2[C@]([C@H]1C)(C)CCCC2(C)C

InChI:
InChI=1S/C15H28/c1-11-7-8-13-14(3,4)9-6-10-15(13,5)12(11)2/h11-13H,6-10H2,1-5H3/t11-,12-,13-,15+/m0/s1

InChIKey:
CVRSZZJUWRLRDE-PWNZVWSESA-N

DeepSMILES:
C[C@H]CC[C@@H][C@][C@H]6C))C)CCCC6C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CCCCC2C1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Polycyclic hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Drimane sesquiterpenoids

NP-Likeness score: 2.694

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Chemical structure download