Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21985
- Core Entity Id
- 27621
- Source Entity Count
- 1
- Preferred Name
- Icariside d1
- Name En
- Pubchem Id
- 13893575
- Smiles Canonical
- C1C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC=CC=C3)O)O)O)O)(CO)O
- Molecular Formula
- C19H28O10
- Molecular Weight
- 416.4230
- Inchikey
- GZSQKOFXMZDKPV-OTCFHACESA-N
- Inchi
- InChI=1S/C19H28O10/c20-9-19(25)10-28-18(16(19)24)27-8-12-13(21)14(22)15(23)17(29-12)26-7-6-11-4-2-1-3-5-11/h1-5,12-18,20-25H,6-10H2/t12-,13-,14+,15-,16+,17-,18-,19-/m1/s1
- Isomeric Smiles
- C1[C@@]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC=CC=C3)O)O)O)O)(CO)O
- Cas Id
- Ob Score
- Mol Logp
- -2.4895
- Num H Donors
- 6
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.2680
- Polar Surface Area
- 158.0000
- Molecular Volume
- 266.0000
- Alogp
- -2.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Icariside D1
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Icariside d1
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Icariside d1
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
icariside,d1
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
中华青牛胆
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZHONG HUA QING NIU DAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Tinospora*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
icariside,d1中华青牛胆ZHONG HUA QING NIU DANChinese Tinospora*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029950
Npass
NPC218860
Tcmid
10947
Pub Chem
13893575
Tcmbank
TCMBANKIN039489
Etcm Ingredient
icariside,d1
Itcmdb Generated
ITX-INGREDIENT-E5B8475A2CF9
Attributes
Merged source attributes and domain-specific metadata.
Alog P
-2
In Ch I
InChI=1S/C19H28O10/c20-9-19(25)10-28-18(16(19)24)27-8-12-13(21)14(22)15(23)17(29-12)26-7-6-11-4-2-1-3-5-11/h1-5,12-18,20-25H,6-10H2/t12-,13-,14+,15-,16+,17-,18-,19-/m1/s1
Mol Wt
416.4230000000001
37 Flag
37
C Count
19
Mol Log P
-2.489499999999997
N Count
0
O Count
10
P Count
0
S Count
0
In Ch Ikey
GZSQKOFXMZDKPV-OTCFHACESA-N
Tcm Name
中华青牛胆
Tcm Name2
ZHONG HUA QING NIU DAN
Mol2 Path
/TCM_database/2007_3d_all/10949.mol2
Reference
4292, 4792
Num Hdonors
6
Tcm Name En
Chinese Tinospora*
Num H Donors
6
Drug Likeness
0.268
Num Hacceptors
10
Isomeric Smiles
C1[C@@]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC=CC=C3)O)O)O)O)(CO)O
Num H Acceptors
10
Canonical Smiles
C1C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC=CC=C3)O)O)O)O)(CO)O
Molecular Weight
416.170
Molecular Volume
266
Molecular Weight
416
Molecular Formula
C19H28O10
Molecular Formula
C19H28O10
Num Rotatable Bonds
8
Num Rotatable Bonds
8
Molecular Polar Surface Area
158
Fda Maximum Daily Dose (Fdamdd)
0.004
Quantitative Estimate Of Drug Likeness（Qed）
0.268