Summary

IMPPAT Phytochemical identifier: IMPHY015339

Phytochemical name: 3-Hydroxyisodavanone

Synonymous chemical names:
3-hydroxyisodavanone

External chemical identifiers:
CID:91747325

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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/C15H24O3/c1-6-15(5)8-7-14(18-15)11(4)13(17)9-12(16)10(2)3/h6,9-11,14,16H,1,7-8H2,2-5H3/b12-9-/t11?,14-,15-/m0/s1

InChIKey:
IWWJFTCNRBRIRH-GZSAPXQHSA-N

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

Functional groups:
C=CC, CC(=O)/C=C(/C)O, 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: Sesquiterpenoids, Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids, Farnesane sesquiterpenoids

NP-Likeness score: 2.264

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Chemical structure download