Summary

IMPPAT Phytochemical identifier: IMPHY001501

Phytochemical name: Morindin

Synonymous chemical names:
morindin

External chemical identifiers:
CID:151621, ZINC:ZINC000140283059, FDASRS:D56N4L816F

---

Chemical structure information

SMILES:
O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)c(O)c(cc1)C

InChI:
InChI=1S/C26H28O14/c1-8-2-3-9-14(16(8)28)17(29)10-4-5-12(20(32)15(10)18(9)30)39-26-24(36)22(34)21(33)13(40-26)7-38-25-23(35)19(31)11(27)6-37-25/h2-5,11,13,19,21-28,31-36H,6-7H2,1H3/t11-,13-,19+,21-,22+,23-,24-,25+,26-/m1/s1

InChIKey:
UVLAQGRQOILFBG-UHCLWRNRSA-N

DeepSMILES:
O[C@H][C@@H]O[C@@H][C@H][C@@H]6O))O))CO[C@@H]OC[C@H][C@@H][C@H]6O))O))O)))))))))Occcccc6O))C=O)ccC6=O))cO)ccc6))C

Functional groups:
CO, CO[C@@H](C)OC, cC(c)=O, cO, cO[C@@H](C)OC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2C(=O)c2cc(OC3CCCC(COC4CCCCO4)O3)ccc21

Scaffold Graph/Node level:
OC1C2CCCCC2C(O)C2CC(OC3CCCC(COC4CCCCO4)O3)CCC12

Scaffold Graph level:
CC1C2CCCCC2C(C)C2CC(CC3CCCC(CCC4CCCCC4)C3)CCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Anthracenes

ClassyFire Subclass: Anthraquinones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Polycyclic aromatic polyketides

NP Classifier Class: Anthraquinones and anthrones

NP-Likeness score: 1.693

---

Chemical structure download