Summary

IMPPAT Phytochemical identifier: IMPHY008638

Phytochemical name: Mansonone C

Synonymous chemical names:
mansonone c

External chemical identifiers:
CID:21742, ChEMBL:CHEMBL508283, ChEBI:6689, SureChEMBL:SCHEMBL9863621

---

Chemical structure information

SMILES:
CC1=Cc2c(ccc(c2C(=O)C1=O)C)C(C)C

InChI:
InChI=1S/C15H16O2/c1-8(2)11-6-5-9(3)13-12(11)7-10(4)14(16)15(13)17/h5-8H,1-4H3

InChIKey:
GREWJSSEUGRGIT-UHFFFAOYSA-N

DeepSMILES:
CC=Ccccccc6C=O)C%10=O))))C))))CC)C

Functional groups:
CC1=CccC(=O)C1=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=Cc2ccccc2C1=O

Scaffold Graph/Node level:
OC1CCC2CCCCC2C1O

Scaffold Graph level:
CC1CCC2CCCCC2C1C

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthoquinones

NP-Likeness score: 1.357

---

Chemical structure download