Summary

IMPPAT Phytochemical identifier: IMPHY000089

Phytochemical name: Galanganol C

Synonymous chemical names:
galanganol c

External chemical identifiers:
CID:11177963

---

Chemical structure information

SMILES:
Oc1ccc(cc1)[C@@H]1OC[C@@H](C[C@H]1C/C=C/c1ccc(cc1)O)C(c1ccc(cc1)O)O

InChI:
InChI=1S/C27H28O5/c28-23-10-4-18(5-11-23)2-1-3-21-16-22(26(31)19-6-12-24(29)13-7-19)17-32-27(21)20-8-14-25(30)15-9-20/h1-2,4-15,21-22,26-31H,3,16-17H2/b2-1+/t21-,22-,26?,27+/m1/s1

InChIKey:
JFEPBHGKNWISIN-GBTLIRRBSA-N

DeepSMILES:
Occcccc6))[C@@H]OC[C@@H]C[C@H]6C/C=C/cccccc6))O))))))))))Ccccccc6))O)))))O

Functional groups:
CO, COC, c/C=C/C, cO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(=Cc1ccccc1)CC1CC(Cc2ccccc2)COC1c1ccccc1

Scaffold Graph/Node level:
C1CCC(CCCC2CC(CC3CCCCC3)COC2C2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCCC2CC(CC3CCCCC3)CCC2C2CCCCC2)CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Diarylheptanoids

ClassyFire Subclass: Linear diarylheptanoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Lignans

NP Classifier Class: Furanoid lignans, Neolignans

NP-Likeness score: 0.859

---

Chemical structure download