Summary
IMPPAT Phytochemical identifier: IMPHY000960
Phytochemical name: Cucurbitacin H
Synonymous chemical names:cucurbitacin g, cucurbitacin h, cucurbitacin-g, cucurbitacin-h, cucurbitacins g, cucurbitacins h, curcubitacin g, curcubitacin h
External chemical identifiers:CID:441818, ChEMBL:CHEMBL551160, ChEBI:3946, SureChEMBL:SCHEMBL10307355
Chemical structure information
SMILES:
O[C@H]1C[C@@H]2C(=CC[C@@H]3[C@@]2(C)C(=O)C[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@](C(=O)CC(C(O)(C)C)O)(O)C)O)C)C(C1=O)(C)CInChI:
InChI=1S/C30H46O8/c1-25(2)15-9-10-19-27(5)13-18(32)23(30(8,38)21(34)12-20(33)26(3,4)37)28(27,6)14-22(35)29(19,7)16(15)11-17(31)24(25)36/h9,16-20,23,31-33,37-38H,10-14H2,1-8H3/t16-,17+,18-,19+,20?,23+,27+,28-,29+,30+/m1/s1InChIKey:
ABNDMUIXCBUBLO-REQJDAJISA-NDeepSMILES:
O[C@H]C[C@@H]C=CC[C@@H][C@@]6C)C=O)C[C@][C@@]6C)C[C@H][C@@H]5[C@]C=O)CCCO)C)C))O))))O)C)))O))))C))))))))CC6=O))C)CFunctional groups:
CC(C)=O, CC=C(C)C, CO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1CCC2C(=CCC3C4CCCC4CC(=O)C23)C1Scaffold Graph/Node level:
OC1CCC2C(CCC3C4CCCC4CC(O)C23)C1Scaffold Graph level:
CC1CCC2C(CCC3C4CCCC4CC(C)C23)C1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Steroids and steroid derivatives
ClassyFire Subclass: Cucurbitacins
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Triterpenoids
NP Classifier Class: Cucurbitane triterpenoids
NP-Likeness score: 2.941
Chemical structure download