Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9164
- Core Entity Id
- 13352
- Source Entity Count
- 1
- Preferred Name
- 9-hydroxy-10-epi-ryanodine
- Name En
- Pubchem Id
- 100991758
- Smiles Canonical
- CC(C)C1(C(C2(C3(CC4(C1(C2(C5(C3(CCC(C5O)(C)O)O)O4)O)C)O)C)O)OC(=O)C6=CC=CN6)O
- Molecular Formula
- C25H35NO10
- Molecular Weight
- 509.5520
- Inchikey
- REYPEWVSBJSDJC-YVHRWRGUSA-N
- Inchi
- InChI=1S/C25H35NO10/c1-12(2)22(32)16(35-14(27)13-7-6-10-26-13)23(33)18(4)11-21(31)19(22,5)25(23,34)24(36-21)15(28)17(3,29)8-9-20(18,24)30/h6-7,10,12,15-16,26,28-34H,8-9,11H2,1-5H3/t15-,16+,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(CC[C@@]([C@@H]5O)(C)O)O)O4)O)C)O)C)O)OC(=O)C6=CC=CN6)O
- Cas Id
- Ob Score
- Mol Logp
- -1.0727
- Num H Donors
- 8
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.2330
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
9-Hydroxy-10-epi-ryanodine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
9-hydroxy-10-epi-ryanodine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
9-hydroxy-10-epi-ryanodine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
驱虫草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
QU CHONG CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
9-Hydroxy-9-epi-10-epi-ryanodine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
9-hydroxy-9-epi-10-epi-ryanodine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
驱虫草QU CHONG CAO9-Hydroxy-9-epi-10-epi-ryanodine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014110HBIN014117
Npass
NPC53275NPC274240
Tcmid
1008010070
Pub Chem
100991758101131111
Tcmbank
TCMBANKIN045061TCMBANKIN041595
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H35NO10/c1-12(2)22(32)16(35-14(27)13-7-6-10-26-13)23(33)18(4)11-21(31)19(22,5)25(23,34)24(36-21)15(28)17(3,29)8-9-20(18,24)30/h6-7,10,12,15-16,26,28-34H,8-9,11H2,1-5H3/t15-,16+,17+,18-,19-,20-,21-,22+,23+,24+,25+/m0/s1
Mol Wt
509.5520000000001
Mol Log P
-1.072699999999999
In Ch Ikey
REYPEWVSBJSDJC-YVHRWRGUSA-N
Tcm Name
驱虫草
Tcm Name2
QU CHONG CAO
Mol2 Path
/TCM_database/2007_3d_all/10081.mol2
Reference
5139
Num Hdonors
8
Drug Likeness
0.233
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(CC[C@@]([C@@H]5O)(C)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(CCC(C5O)(C)O)O)O4)O)C)O)C)O)OC(=O)C6=CC=CN6)O
Molecular Weight
509.5 g/mol
Molecular Formula
C25H35NO10
Num Rotatable Bonds
3