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
- 9084
- Core Entity Id
- 13264
- Source Entity Count
- 1
- Preferred Name
- 9,20-dihydroxy-9-epi-10-epi-ryanodine
- Name En
- Pubchem Id
- 101131113
- Smiles Canonical
- CC(C)C1(C(C2(C3(CC4(C1(C2(C5(C3(CCC(C5O)(C)O)O)O4)O)C)O)CO)O)OC(=O)C6=CC=CN6)O
- Molecular Formula
- C25H35NO11
- Molecular Weight
- 525.5510
- Inchikey
- IZUIZDYDTWWFQY-OGLMYFCDSA-N
- Inchi
- InChI=1S/C25H35NO11/c1-12(2)22(33)16(36-14(28)13-6-5-9-26-13)23(34)19(11-27)10-21(32)18(22,4)25(23,35)24(37-21)15(29)17(3,30)7-8-20(19,24)31/h5-6,9,12,15-16,26-27,29-35H,7-8,10-11H2,1-4H3/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)CO)O)OC(=O)C6=CC=CN6)O
- Cas Id
- Ob Score
- Mol Logp
- -2.1003
- Num H Donors
- 9
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.1940
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
9,20-Dihydroxy-9-epi-10-epi-ryanodine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
9,20-dihydroxy-9-epi-10-epi-ryanodine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
9,20-dihydroxy-9-epi-10-epi-ryanodine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
驱虫草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
QU CHONG CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
驱虫草QU CHONG CAO
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014018
Tcmid
5869
Pub Chem
101131113
Tcmbank
TCMBANKIN047139
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H35NO11/c1-12(2)22(33)16(36-14(28)13-6-5-9-26-13)23(34)19(11-27)10-21(32)18(22,4)25(23,35)24(37-21)15(29)17(3,30)7-8-20(19,24)31/h5-6,9,12,15-16,26-27,29-35H,7-8,10-11H2,1-4H3/t15-,16+,17-,18-,19+,20-,21-,22+,23+,24+,25+/m0/s1
Mol Wt
525.5510000000002
Mol Log P
-2.100299999999997
In Ch Ikey
IZUIZDYDTWWFQY-OGLMYFCDSA-N
Tcm Name
驱虫草
Tcm Name2
QU CHONG CAO
Mol2 Path
/TCM_database/2007_3d_all/05870.mol2
Reference
5139
Num Hdonors
9
Drug Likeness
0.194
Num Hacceptors
11
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)CO)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)CO)O)OC(=O)C6=CC=CN6)O
Molecular Weight
525.5 g/mol
Molecular Formula
C25H35NO11
Num Rotatable Bonds
4