Summary

IMPPAT Phytochemical identifier: IMPHY004605

Phytochemical name: Tovophyllin B

Synonymous chemical names:
tovophyllin b

External chemical identifiers:
CID:509268, ZINC:ZINC000014768737

---

Chemical structure information

SMILES:
CC(=CCc1c(O)c2OC(C)(C)C=Cc2c2c1oc1cc3OC(C)(C)C=Cc3c(c1c2=O)O)C

InChI:
InChI=1S/C28H28O6/c1-14(2)7-8-17-23(30)26-16(10-12-28(5,6)34-26)20-24(31)21-19(32-25(17)20)13-18-15(22(21)29)9-11-27(3,4)33-18/h7,9-13,29-30H,8H2,1-6H3

InChIKey:
NKTLGMPGRFCLNF-UHFFFAOYSA-N

DeepSMILES:
CC=CCccO)cOCC)C)C=Cc6cc%10occcOCC)C)C=Cc6cc%10c%14=O)))O)))))))))))))))))))))))C

Functional groups:
CC=C(C)C, c=O, cC=CC, cO, cOC, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2cc3c(cc2oc2ccc4c(c12)C=CCO4)OCC=C3

Scaffold Graph/Node level:
OC1C2CC3CCCOC3CC2OC2CCC3OCCCC3C21

Scaffold Graph level:
CC1C2CC3CCCCC3CC2CC2CCC3CCCCC3C21

---

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 Classifier Superclass: Xanthones

NP Classifier Class: Plant xanthones

NP-Likeness score: 2.615

---

Chemical structure download