Summary

IMPPAT Phytochemical identifier: IMPHY007270

Phytochemical name: 12,15-Epoxy-12,14-labdadien-8-ol

Synonymous chemical names:
12,15-epoxy-12,14-labdadien-8-ol

External chemical identifiers:
CID:91748581

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Chemical structure information

SMILES:
Cc1ccoc1C[C@@H]1C(C)(O)CCC2[C@@]1(C)CCCC2(C)C

InChI:
InChI=1S/C20H32O2/c1-14-8-12-22-15(14)13-17-19(4)10-6-9-18(2,3)16(19)7-11-20(17,5)21/h8,12,16-17,21H,6-7,9-11,13H2,1-5H3/t16?,17-,19+,20?/m0/s1

InChIKey:
GWTHBPSLWRXRSF-OWODTTCDSA-N

DeepSMILES:
Ccccoc5C[C@@H]CC)O)CCC[C@@]6C)CCCC6C)C

Functional groups:
CO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1coc(CC2CCCC3CCCCC32)c1

Scaffold Graph/Node level:
C1COC(CC2CCCC3CCCCC32)C1

Scaffold Graph level:
C1CCC(CC2CCCC3CCCCC32)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Labdane diterpenoids

NP-Likeness score: 2.421

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Chemical structure download