Summary

IMPPAT Phytochemical identifier: IMPHY005200

Phytochemical name: Methylophiopogonone B

Synonymous chemical names:
methylophiopogonone b

External chemical identifiers:
CID:23259413, ChEBI:81116, ZINC:ZINC000013327523

---

Chemical structure information

SMILES:
COc1ccc(cc1)Cc1coc2c(c1=O)c(O)c(c(c2C)O)C

InChI:
InChI=1S/C19H18O5/c1-10-16(20)11(2)19-15(17(10)21)18(22)13(9-24-19)8-12-4-6-14(23-3)7-5-12/h4-7,9,20-21H,8H2,1-3H3

InChIKey:
BUTFXZVBLOLETI-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))Cccoccc6=O))cO)ccc6C))O))C

Functional groups:
c=O, cO, cOC, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(Cc2ccccc2)coc2ccccc12

Scaffold Graph/Node level:
OC1C(CC2CCCCC2)COC2CCCCC21

Scaffold Graph level:
CC1C(CC2CCCCC2)CCC2CCCCC21

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Homoisoflavonoids

ClassyFire Subclass: Homoisoflavones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Chromanes

NP Classifier Class: Chromones

NP-Likeness score: 1.101

---

Chemical structure download