Summary

IMPPAT Phytochemical identifier: IMPHY003110

Phytochemical name: Corosin

Synonymous chemical names:
capsularone, corosin

External chemical identifiers:
CID:286498, ChEBI:167968

---

Chemical structure information

SMILES:
OC1CC2(C)C(C(C1O)(C)C(=O)O)CCC1(C2CC=C2C1(C)CCC1(C2C(C)(O)C(C)CC1)C(=O)O)C

InChI:
InChI=1S/C30H46O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-25(2)15-18(31)22(32)28(5,23(33)34)20(25)10-11-27(19,26)4/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)

InChIKey:
FYGSMJAMPMZYFS-UHFFFAOYSA-N

DeepSMILES:
OCCCC)CCC6O))C)C=O)O)))CCCC6CC=CC6C)CCCC6CC)O)CC)CC6)))))C=O)O))))))))))C

Functional groups:
CC(=O)O, CC=C(C)C, CO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C3CCCCC3CCC2C2CCC3CCCCC3C2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Triterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Ursane and Taraxastane triterpenoids

NP-Likeness score: 3.164

---

Chemical structure download