Summary

IMPPAT Phytochemical identifier: IMPHY008352

Phytochemical name: Kosotoxin

Synonymous chemical names:
kosotoxin

External chemical identifiers:
CID:3083701

---

Chemical structure information

SMILES:
COc1c(C)c(O)c(c(c1C(=O)C(C)C)O)CC1(C)C(=C(C)C(=C(C1=O)C(=O)C(C)C)O)O

InChI:
InChI=1S/C25H32O8/c1-10(2)17(26)15-21(30)14(19(28)12(5)22(15)33-8)9-25(7)23(31)13(6)20(29)16(24(25)32)18(27)11(3)4/h10-11,28-31H,9H2,1-8H3

InChIKey:
WJMWQOAVNBMCKR-UHFFFAOYSA-N

DeepSMILES:
COccC)cO)ccc6C=O)CC)C))))O))CCC)C=CC)C=CC6=O))C=O)CC)C))))O)))O

Functional groups:
CC(=O)C1=C(O)C(C)=C(O)CC1=O, cC(C)=O, cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC=CC1Cc1ccccc1

Scaffold Graph/Node level:
OC1CCCCC1CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1CC1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Phloroglucinols

NP Classifier Class: Dimeric phloroglucinols

NP-Likeness score: 1.604

---

Chemical structure download