Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9029
- Core Entity Id
- 13202
- Source Entity Count
- 1
- Preferred Name
- 9,10-dimethoxy-pterocarpane-3-o-beta-d-glucoside
- Name En
- Pubchem Id
- 11968435
- Smiles Canonical
- COC1C=C2C3COC4=C(C3OC2=CC1OC)C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O
- Molecular Formula
- C23H28O10
- Molecular Weight
- 464.4670
- Inchikey
- JYAYJYYVTAWRDV-TXOKKQFOSA-N
- Inchi
- InChI=1S/C23H28O10/c1-28-16-6-12-13-9-30-14-5-10(31-23-21(27)20(26)19(25)18(8-24)33-23)3-4-11(14)22(13)32-15(12)7-17(16)29-2/h3-7,13,16-27H,8-9H2,1-2H3/t13?,16?,17?,18-,19-,20+,21-,22?,23-/m1/s1
- Isomeric Smiles
- COC1C=C2C3COC4=C(C3OC2=CC1OC)C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.2009
- Num H Donors
- 4
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4640
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
9, 10-Dimethoxypterocarpane-3-O-Beta-D-Glucoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
9,10-Dimethoxy-pterocarpane-3-O-beta-D-glucoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
9,10-dimethoxy-pterocarpane-3-o-beta-d-glucoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
9,10-dimethoxy-pterocarpane-3-o-beta-d-glucoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
9,10-dimethoxy-pterocarpane-3-o-beta-d-glucoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
9,10-dimethoxy-pterocarpane-3-o-β-d-gluco-side
Role
alias
Source
TCMBank
Preferred
No
Name
9,10-dimethoxypterocarpane-3-o-beta-d-glucoside
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
9, 10-Dimethoxypterocarpane-3-O-Beta-D-Glucoside9,10-dimethoxy-pterocarpane-3-o-β-d-gluco-side9,10-dimethoxypterocarpane-3-o-beta-d-glucoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013951
Npass
NPC24124
Tcmid
23992258506290
Sym Map
SMIT15149SMIT18491
Tcm Id
7319
Pub Chem
11968435
Tcmbank
TCMBANKIN027704
Etcm Ingredient
9,10-Dimethoxy-pterocarpane-3-O-beta-D-glucoside
Itcmdb Generated
ITX-INGREDIENT-72BF02300AA2
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C23H28O10/c1-28-16-6-12-13-9-30-14-5-10(31-23-21(27)20(26)19(25)18(8-24)33-23)3-4-11(14)22(13)32-15(12)7-17(16)29-2/h3-7,13,16-27H,8-9H2,1-2H3/t13?,16?,17?,18-,19-,20+,21-,22?,23-/m1/s1
Mol Wt
464.4670000000002
Smiles
COC1C=C2C3COC4=C(C3OC2=CC1OC)C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O
Mol Log P
-0.2008999999999997
Version
v1
In Ch Ikey
JYAYJYYVTAWRDV-TXOKKQFOSA-N
Suppress
0
Num Hdonors
4
Drug Likeness
0.464
Num Hacceptors
10
Isomeric Smiles
COC1C=C2C3COC4=C(C3OC2=CC1OC)C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
Canonical Smiles
COC1C=C2C3COC4=C(C3OC2=CC1OC)C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O
Molecular Weight
464.170
Molecular Formula
C23H28O10
Molecular Formula
C23H28O10
Molecular Formula
C23H28O10
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.886
Quantitative Estimate Of Drug Likeness（Qed）
0.464