Summary

IMPPAT Phytochemical identifier: IMPHY001851

Phytochemical name: Arteincultone

Synonymous chemical names:
arteincultone

External chemical identifiers:
CID:101652686

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Chemical structure information

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

InChI:
InChI=1S/C15H24O4/c1-6-15(5)10-8-13(18-15)11(2)12(16)7-9-14(3,4)19-17/h6-7,9,11,13,17H,1,8,10H2,2-5H3/b9-7+/t11?,13-,15-/m0/s1

InChIKey:
WKCHNXVWJKIODW-RRTKTSOCSA-N

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

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

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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: 3.033

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Chemical structure download