Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8786
- Core Entity Id
- 12934
- Source Entity Count
- 1
- Preferred Name
- 8beta,9beta-epoxy-10-epi-ryanodine
- Name En
- Pubchem Id
- 101177512
- Smiles Canonical
- CC(C)C1(C(C2(C3(CC4(C1(C2(C5(C3(CC(C(=C)C5O)O)O)O4)O)C)O)C)O)OC(=O)C6=CC=CN6)O
- Molecular Formula
- C25H33NO10
- Molecular Weight
- 507.5360
- Inchikey
- MOUZFQRUPSBJRL-NKOXFDQQSA-N
- Inchi
- InChI=1S/C25H33NO10/c1-11(2)22(32)17(35-16(29)13-7-6-8-26-13)23(33)18(4)10-21(31)19(22,5)25(23,34)24(36-21)15(28)12(3)14(27)9-20(18,24)30/h6-8,11,14-15,17,26-28,30-34H,3,9-10H2,1-2,4-5H3/t14-,15+,17+,18-,19-,20-,21-,22+,23+,24+,25+/m0/s1
- Isomeric Smiles
- CC(C)[C@]1([C@H]([C@]2([C@]3(C[C@]4([C@@]1([C@@]2([C@@]5([C@@]3(C[C@@H](C(=C)[C@H]5O)O)O)O4)O)C)O)C)O)OC(=O)C6=CC=CN6)O
- Cas Id
- Ob Score
- Mol Logp
- -1.2967
- Num H Donors
- 8
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.1800
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
8beta,9beta-epoxy-10-epi-ryanodine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
8beta,9beta-epoxy-10-epi-ryanodine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013655
Npass
NPC121896
Tcmid
7091
Pub Chem
101177512
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H33NO10/c1-11(2)22(32)17(35-16(29)13-7-6-8-26-13)23(33)18(4)10-21(31)19(22,5)25(23,34)24(36-21)15(28)12(3)14(27)9-20(18,24)30/h6-8,11,14-15,17,26-28,30-34H,3,9-10H2,1-2,4-5H3/t14-,15+,17+,18-,19-,20-,21-,22+,23+,24+,25+/m0/s1
Mol Wt
507.5360000000001
Mol Log P
-1.296699999999999
In Ch Ikey
MOUZFQRUPSBJRL-NKOXFDQQSA-N
Num Hdonors
8
Drug Likeness
0.18
Num Hacceptors
10
Isomeric Smiles
CC(C)[C@]1([C@H]([C@]2([C@]3(C[C@]4([C@@]1([C@@]2([C@@]5([C@@]3(C[C@@H](C(=C)[C@H]5O)O)O)O4)O)C)O)C)O)OC(=O)C6=CC=CN6)O
Canonical Smiles
CC(C)C1(C(C2(C3(CC4(C1(C2(C5(C3(CC(C(=C)C5O)O)O)O4)O)C)O)C)O)OC(=O)C6=CC=CN6)O
Molecular Formula
C25H33NO10
Num Rotatable Bonds
3