Summary

IMPPAT Phytochemical identifier: IMPHY015152

Phytochemical name: 1,2-Dehydro-3-hydroxy-isodavanone

Synonymous chemical names:
1,2-dehydro-3-hydroxy-isodavanone

External chemical identifiers:
CID:91747324

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Chemical structure information

SMILES:
C=C[C@@]1(C)CC[C@H](O1)C(C(=O)/C=C(/C(=C)C)O)C

InChI:
InChI=1S/C15H22O3/c1-6-15(5)8-7-14(18-15)11(4)13(17)9-12(16)10(2)3/h6,9,11,14,16H,1-2,7-8H2,3-5H3/b12-9-/t11?,14-,15-/m0/s1

InChIKey:
AYJCMTOVQWMEDB-GZSAPXQHSA-N

DeepSMILES:
C=C[C@@]C)CC[C@H]O5)CC=O)/C=C/C=C)C))O))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOC1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxolanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.155

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Chemical structure download