Summary

IMPPAT Phytochemical identifier: IMPHY012942

Phytochemical name: Scuterivulactone D

Synonymous chemical names:
scuterivulactone d

External chemical identifiers:
CID:6443900, ZINC:ZINC000033956066

---

Chemical structure information

SMILES:
O=C1OCC(=C1)/C=C/[C@]1(C)[C@H]2CC[C@H]([C@]([C@]2(C)[C@H](C[C@]1(C)O)OC(=O)c1ccccc1)(C)O)O

InChI:
InChI=1S/C27H34O7/c1-24(13-12-17-14-22(29)33-16-17)19-10-11-20(28)27(4,32)26(19,3)21(15-25(24,2)31)34-23(30)18-8-6-5-7-9-18/h5-9,12-14,19-21,28,31-32H,10-11,15-16H2,1-4H3/b13-12+/t19-,20-,21+,24-,25+,26+,27+/m1/s1

InChIKey:
OLMPIDWZCBHRNQ-VBCSIWJFSA-N

DeepSMILES:
O=COCC=C5)/C=C/[C@]C)[C@H]CC[C@H][C@][C@]6C)[C@H]C[C@]%10C)O)))OC=O)cccccc6))))))))))C)O))O

Functional groups:
C/C=C/C1=CC(=O)OC1, CO, cC(=O)OC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C(C=CC2CCC(OC(=O)c3ccccc3)C3CCCCC23)CO1

Scaffold Graph/Node level:
OC1CC(CCC2CCC(OC(O)C3CCCCC3)C3CCCCC23)CO1

Scaffold Graph level:
CC1CCC(CCC2CCC(CC(C)C3CCCCC3)C3CCCCC23)C1

---

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-Likeness score: 1.965

---

Chemical structure download