Summary

IMPPAT Phytochemical identifier: IMPHY000058

Phytochemical name: Ovalichromene B

Synonymous chemical names:
ovalichromene b

External chemical identifiers:
CID:10981007

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Chemical structure information

SMILES:
O=C1CC(Oc2c1ccc1c2C=CC(O1)(C)C)c1ccc2c(c1)OCO2

InChI:
InChI=1S/C21H18O5/c1-21(2)8-7-14-16(26-21)6-4-13-15(22)10-18(25-20(13)14)12-3-5-17-19(9-12)24-11-23-17/h3-9,18H,10-11H2,1-2H3

InChIKey:
JRTNAZKQGYGUQE-UHFFFAOYSA-N

DeepSMILES:
O=CCCOcc6cccc6C=CCO6)C)C)))))))))))cccccc6)OCO5

Functional groups:
c1cOCO1, cC(C)=O, cC=CC, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccc3c(c2)OCO3)Oc2c1ccc1c2C=CCO1

Scaffold Graph/Node level:
OC1CC(C2CCC3OCOC3C2)OC2C1CCC1OCCCC12

Scaffold Graph level:
CC1CC(C2CCC3CCCC3C2)CC2C1CCC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Pyranoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 1.987

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Chemical structure download