Summary

IMPPAT Phytochemical identifier: IMPHY000791

Phytochemical name: Gancaonin R

Synonymous chemical names:
gancaonin r

External chemical identifiers:
CID:480815

---

Chemical structure information

SMILES:
CC(=CCc1c(O)cc(c(c1CCc1ccc(c(c1)O)O)CC=C(C)C)O)C

InChI:
InChI=1S/C24H30O4/c1-15(2)5-9-19-18(11-7-17-8-12-21(25)24(28)13-17)20(10-6-16(3)4)23(27)14-22(19)26/h5-6,8,12-14,25-28H,7,9-11H2,1-4H3

InChIKey:
QFAPONVNJTUMHF-UHFFFAOYSA-N

DeepSMILES:
CC=CCccO)cccc6CCcccccc6)O))O))))))))CC=CC)C)))))O)))))))C

Functional groups:
CC=C(C)C, cO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CCc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(CCC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCC2CCCCC2)CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Stilbenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Stilbenoids

NP Classifier Class: Monomeric stilbenes

NP-Likeness score: 1.297

---

Chemical structure download