Summary

IMPPAT Phytochemical identifier: IMPHY004698

Phytochemical name: Pilosanol C

Synonymous chemical names:
pilosanol c, pilosanol c+

External chemical identifiers:
CID:44257098, ChEMBL:CHEMBL3908614, ZINC:ZINC000014656300

---

Chemical structure information

SMILES:
CCCC(=O)c1c(O)c(Cc2c(O)cc(c3c2O[C@@H]([C@H](C3)O)c2ccc(c(c2)O)O)O)c(c(c1OC)C)O

InChI:
InChI=1S/C28H30O10/c1-4-5-18(30)23-25(36)16(24(35)12(2)26(23)37-3)9-14-19(31)11-20(32)15-10-22(34)27(38-28(14)15)13-6-7-17(29)21(33)8-13/h6-8,11,22,27,29,31-36H,4-5,9-10H2,1-3H3/t22-,27+/m0/s1

InChIKey:
UYBMYSLWGHMDRE-WXVAWEFUSA-N

DeepSMILES:
CCCC=O)ccO)cCccO)cccc6O[C@@H][C@H]C6)O))cccccc6)O))O)))))))))O))))))ccc6OC)))C))O

Functional groups:
CO, cC(C)=O, cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(Cc2cccc3c2OC(c2ccccc2)CC3)cc1

Scaffold Graph/Node level:
C1CCC(CC2CCCC3CCC(C4CCCCC4)OC32)CC1

Scaffold Graph level:
C1CCC(CC2CCCC3CCC(C4CCCCC4)CC32)CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavans

NP Classifier Biosynthetic pathway: Polyketides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Phloroglucinols, Flavonoids

NP Classifier Class: Dimeric phloroglucinols, Flavan-3-ols

NP-Likeness score: 1.967

---

Chemical structure download