Summary

IMPPAT Phytochemical identifier: IMPHY015448

Phytochemical name: 8,13-Epoxy-15,16-dinorlabd-12-ene

Synonymous chemical names:
8,13-epoxy-15,16-dinorlabd-12-ene

External chemical identifiers:
CID:91748774

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Chemical structure information

SMILES:
CC1=CCC2C(O1)CCC1[C@]2(C)CCCC1(C)C

InChI:
InChI=1S/C17H28O/c1-12-6-7-13-14(18-12)8-9-15-16(2,3)10-5-11-17(13,15)4/h6,13-15H,5,7-11H2,1-4H3/t13?,14?,15?,17-/m1/s1

InChIKey:
WZENFBKOQYBKCE-ACSWQBRGSA-N

DeepSMILES:
CC=CCCCO6)CCC[C@]6C)CCCC6C)C

Functional groups:
CC=C(C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=COC2CCC3CCCCC3C2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1OCCCC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthopyrans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Podocarpane diterpenoids

NP-Likeness score: 2.596

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Chemical structure download