Summary

IMPPAT Phytochemical identifier: IMPHY001874

Phytochemical name: Cowanin

Synonymous chemical names:
cowanin

External chemical identifiers:
CID:11754819, ChEMBL:CHEMBL458845, ZINC:ZINC000036413522

---

Chemical structure information

SMILES:
COc1c(O)cc2c(c1C/C=C(/CCC=C(C)C)C)c(=O)c1c(o2)cc(c(c1O)CC=C(C)C)O

InChI:
InChI=1S/C29H34O6/c1-16(2)8-7-9-18(5)11-13-20-25-23(15-22(31)29(20)34-6)35-24-14-21(30)19(12-10-17(3)4)27(32)26(24)28(25)33/h8,10-11,14-15,30-32H,7,9,12-13H2,1-6H3/b18-11+

InChIKey:
GVDDDYKLKUMEGV-WOJGMQOQSA-N

DeepSMILES:
COccO)cccc6C/C=C/CCC=CC)C)))))C)))))c=O)cco6)cccc6O))CC=CC)C)))))O

Functional groups:
C/C=C(/C)C, CC=C(C)C, c=O, cO, cOC, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2OC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CC2CCCCC21

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Xanthones

NP Classifier Class: Plant xanthones

NP-Likeness score: 2.087

---

Chemical structure download