Summary

IMPPAT Phytochemical identifier: IMPHY016505

Phytochemical name: Albicanal

Synonymous chemical names:
albicanal

External chemical identifiers:
CID:10987802, ZINC:ZINC000015148100, SureChEMBL:SCHEMBL6783507

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Chemical structure information

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

InChI:
InChI=1S/C15H24O/c1-11-6-7-13-14(2,3)8-5-9-15(13,4)12(11)10-16/h10,12-13H,1,5-9H2,2-4H3/t12-,13-,15+/m0/s1

InChIKey:
CYNSNODFYUHSCP-KCQAQPDRSA-N

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

Functional groups:
C=C(C)C, CC=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CCCCC2C1

Scaffold Graph/Node level:
CC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organic oxides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Drimane sesquiterpenoids

NP-Likeness score: 3.234

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Chemical structure download