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
- 13005
- Core Entity Id
- 17625
- Source Entity Count
- 1
- Preferred Name
- Breyniaionoside b
- Name En
- Pubchem Id
- 11475255
- Smiles Canonical
- CC1CC(CC(C1(C=CC(COC2C(C(C(C(O2)CO)O)O)O)O)O)(C)C)O
- Molecular Formula
- C19H34O9
- Molecular Weight
- 406.4720
- Inchikey
- YIAQIGPDWXVEJQ-WKTLMOSLSA-N
- Inchi
- InChI=1S/C19H34O9/c1-10-6-12(22)7-18(2,3)19(10,26)5-4-11(21)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-5,10-17,20-26H,6-9H2,1-3H3/b5-4+/t10-,11?,12+,13-,14-,15+,16-,17-,19-/m1/s1
- Isomeric Smiles
- C[C@@H]1C[C@@H](CC([C@]1(/C=C/C(CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)(C)C)O
- Cas Id
- Ob Score
- Mol Logp
- -1.7319
- Num H Donors
- 7
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.2540
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Breyniaionoside B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Breyniaionoside B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Breyniaionoside b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Breyniaionoside b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
药用黑面神叶
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YAO YONG HEI MIAN SHEN YE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Medicinal Breynia Leaf*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
药用黑面神叶YAO YONG HEI MIAN SHEN YEMedicinal Breynia Leaf*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018841
Tcmid
26082609
Pub Chem
11475255
Tcmbank
TCMBANKIN035038
Etcm Ingredient
Breyniaionoside B
Itcmdb Generated
ITX-INGREDIENT-64F55E5BCF26ITX-INGREDIENT-9BB01F9D1EB0
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H34O9/c1-10-6-12(22)7-18(2,3)19(10,26)5-4-11(21)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-5,10-17,20-26H,6-9H2,1-3H3/b5-4+/t10-,11?,12+,13-,14-,15+,16-,17-,19-/m1/s1
Mol Wt
406.4720000000001
Mol Log P
-1.731899999999998
In Ch Ikey
YIAQIGPDWXVEJQ-WKTLMOSLSA-N
Tcm Name
药用黑面神叶
Tcm Name2
YAO YONG HEI MIAN SHEN YE
Mol2 Path
/TCM_database/2007_3d_all/02608.mol2
Reference
2583
Num Hdonors
7
Tcm Name En
Medicinal Breynia Leaf*
Drug Likeness
0.254
Num Hacceptors
9
Isomeric Smiles
C[C@@H]1C[C@@H](CC([C@]1(/C=C/C(CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)(C)C)O
Canonical Smiles
CC1CC(CC(C1(C=CC(COC2C(C(C(C(O2)CO)O)O)O)O)O)(C)C)O
Molecular Weight
406.220
Molecular Formula
C19H34O9
Molecular Formula
C19H34O9
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.939
Quantitative Estimate Of Drug Likeness（Qed）
0.254