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: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10970
- Core Entity Id
- 15358
- Source Entity Count
- 1
- Preferred Name
- Antialloside
- Name En
- Pubchem Id
- 56841093
- Smiles Canonical
- CC1C(C(C(C(O1)OC2CCC3(C4CC(C5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)O)C=O)O)O)O
- Molecular Formula
- C29H42O11
- Molecular Weight
- 566.6440
- Inchikey
- MFIXZHBJWSBQJA-YHJXEBCVSA-N
- Inchi
- InChI=1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16-,17+,18+,19-,20+,22-,23-,24-,25-,26-,27-,28-,29-/m0/s1
- Isomeric Smiles
- C[C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4C[C@H]([C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)O)C=O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.2792
- Num H Donors
- 6
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.1490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Antialloside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Antialloside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Antialloside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Antialloside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
见血封喉
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIAN XUE FENG HOU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Antiaris
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3981-18-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
3981-18-8
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
见血封喉JIAN XUE FENG HOUCommon Antiaris3981-18-8
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016302
Npass
NPC310768
Tcmid
1374
Tcm Id
6743
Pub Chem
56841093
Tcmbank
TCMBANKIN000520
Etcm Ingredient
Antialloside
Itcmdb Generated
ITX-INGREDIENT-622505DBC7DAITX-INGREDIENT-6308B3F43A77
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16-,17+,18+,19-,20+,22-,23-,24-,25-,26-,27-,28-,29-/m0/s1
Mol Wt
566.6440000000006
Mol Log P
-0.2791999999999982
In Ch Ikey
MFIXZHBJWSBQJA-YHJXEBCVSA-N
Tcm Name
见血封喉
Tcm Name2
JIAN XUE FENG HOU
Mol2 Path
/TCM_database/2007_3d_all/01374.mol2
Reference
660
Num Hdonors
6
Tcm Name En
Common Antiaris
Drug Likeness
0.149
Num Hacceptors
11
Isomeric Smiles
C[C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4C[C@H]([C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)O)C=O)O)O)O
Canonical Smiles
CC1C(C(C(C(O1)OC2CCC3(C4CC(C5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)O)C=O)O)O)O
Herb Alias Names
3981-18-8
Molecular Weight
580.290
Molecular Formula
C30H44O11
Molecular Formula
C29H42O11
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.973
Quantitative Estimate Of Drug Likeness（Qed）
0.223