Summary

Molecular formula: C39H26O15
SMILES: Oc1cc(=O)oc(c1)[C@@H]1[C@H](Oc2c1c(=O)oc(c2)/C=C/c1cc(O)c(cc1c1c(O)cc(oc1=O)/C=C/c1ccc(c(c1)O)O)O)c1ccc(c(c1)O)O
InChI: InChI=1S/C39H26O15/c40-20-12-31(53-33(48)13-20)35-36-32(54-37(35)19-4-8-25(42)27(44)11-19)15-22(52-39(36)50)6-3-18-10-28(45)29(46)16-23(18)34-30(47)14-21(51-38(34)49)5-1-17-2-7-24(41)26(43)9-17/h1-16,35,37,40-47H/b5-1+,6-3+/t35-,37+/m0/s1
InChIKey: KAEWYNFUJFCGQA-UPSVAIHWSA-N

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cccc(C2c3c(cc(C=Cc4ccccc4-c4ccc(C=Cc5ccccc5)oc4=O)oc3=O)OC2c2ccccc2)o1

Scaffold Graph/Node level:
OC1CCCC(C2C(C3CCCCC3)OC3CC(CCC4CCCCC4C4CCC(CCC5CCCCC5)OC4O)OC(O)C32)O1

Scaffold Graph level:
CC1CCCC(C2C(C3CCCCC3)CC3CC(CCC4CCCCC4C4CCC(CCC5CCCCC5)CC4C)CC(C)C32)C1

---

Chemical classification

Kingdom: Organic compounds
Super class: Benzenoids
Class: Phenols
Sub class: Benzenediols

---

Synonymous chemical names:
phellinstatin

---

External chemical identifiers:
CID_54728876; NPATLAS_NPA019616; CHEMSPIDER_26385089; ZINC_ZINC000095547488

---

Chemical structure download