Summary

IMPPAT Phytochemical identifier: IMPHY015541

Phytochemical name: Cabreuva oxide B

Synonymous chemical names:
cabreuva oxide b

External chemical identifiers:
CID:15677814, ZINC:ZINC000013380904

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Chemical structure information

SMILES:
C=C[C@]1(C)C[C@H]2C=C(C)CC[C@H]2C(O1)(C)C

InChI:
InChI=1S/C15H24O/c1-6-15(5)10-12-9-11(2)7-8-13(12)14(3,4)16-15/h6,9,12-13H,1,7-8,10H2,2-5H3/t12-,13-,15-/m1/s1

InChIKey:
NIGRJVWIKNICMW-UMVBOHGHSA-N

DeepSMILES:
C=C[C@]C)C[C@H]C=CC)CC[C@H]6CO%10)C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCOCC2CC1

Scaffold Graph/Node level:
C1CCC2COCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP-Likeness score: 3.02

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Chemical structure download