Summary

IMPPAT Phytochemical identifier: IMPHY000644

Phytochemical name: Phlobaphene

Synonymous chemical names:
phlobaphene

Chemical structure information

SMILES:
Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3ccc(c2)C(=O)O)ccc(c1)O.Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cc(cc2)C(=O)O)ccc(c1)O

InChI:
InChI=1S/2C21H12O7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)21(15)14-4-1-10(19(24)25)7-13(14)20(26)28-21;22-11-2-5-14-17(8-11)27-18-9-12(23)3-6-15(18)21(14)16-7-10(19(24)25)1-4-13(16)20(26)28-21/h2*1-9,22-23H,(H,24,25)

InChIKey:
BPVHBBXCESDRKW-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)OccC6OC=O)cc5cccc6)C=O)O))))))))))cccc6)O.Occcccc6)OccC6OC=O)cc5cccc6))C=O)O)))))))))cccc6)O

Functional groups:
cC(=O)O, cC(=O)OC, cO, cOc

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.303

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Chemical structure download