Summary

IMPPAT Phytochemical identifier: IMPHY002613

Phytochemical name: tatridin B

Synonymous chemical names:
tatridin b

External chemical identifiers:
CID:14191260, ChEMBL:CHEMBL191412, ChEBI:73239, ZINC:ZINC000005480234

---

Chemical structure information

SMILES:
C/C/1=C[C@@H](O)[C@H]2[C@H](CC(=C)[C@@H](CC1)O)OC(=O)C2=C

InChI:
InChI=1S/C15H20O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,11-14,16-17H,2-5,7H2,1H3/b8-6+/t11-,12-,13+,14+/m1/s1

InChIKey:
KNEQPJSDSYNUHP-RFPYWGSLSA-N

DeepSMILES:
C/C=C[C@@H]O)[C@H][C@H]CC=C)[C@@H]CC%10))O))))OC=O)C5=C

Functional groups:
C/C(C)=C/C, C=C(C)C, C=C1CCOC1=O, CO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC=CCC2C(=C)C(=O)OC2C1

Scaffold Graph/Node level:
CC1CCCCCCC2C(C1)OC(O)C2C

Scaffold Graph level:
CC1CCCCCCC2C(C1)CC(C)C2C

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Germacrane sesquiterpenoids

NP-Likeness score: 3.494

---

Chemical structure download