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
- 21498
- Core Entity Id
- 27080
- Source Entity Count
- 1
- Preferred Name
- Hildecarpin
- Name En
- Pubchem Id
- 442773
- Smiles Canonical
- COC1=C(C=C2C(=C1)C3C(CO2)(C4=CC5=C(C=C4O3)OCO5)O)O
- Molecular Formula
- C17H14O7
- Molecular Weight
- 330.2920
- Inchikey
- DQXBSJMCLQLJKV-DLBZAZTESA-N
- Inchi
- InChI=1S/C17H14O7/c1-20-13-2-8-11(4-10(13)18)21-6-17(19)9-3-14-15(23-7-22-14)5-12(9)24-16(8)17/h2-5,16,18-19H,6-7H2,1H3/t16-,17+/m0/s1
- Isomeric Smiles
- COC1=C(C=C2C(=C1)[C@H]3[C@@](CO2)(C4=CC5=C(C=C4O3)OCO5)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.8432
- Num H Donors
- 2
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.8250
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hildecarpin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Hildecarpin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hildecarpin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Hildecarpin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Hildecarpin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hildecarpin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
希氏灰毛豆*
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XI SHI HUI MAO DOU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Hildebrandt Tephrosia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(1S,12S)-15-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene-1,16-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,12S)-15-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene-1,16-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
3,6a-Dihydroxy-2-methoxy-8,9-methylenedioxypterocarpan
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,6a-Dihydroxy-2-methoxy-8,9-methylenedioxypterocarpan
Role
alias
Source
HERB_v2
Preferred
No
Name
99624-64-3
Role
alias
Source
HERB_v2
Preferred
No
Name
99624-64-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:5718
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:5718
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00331947
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00331947
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12070129
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12070129
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27106866
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27106866
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
希氏灰毛豆*XI SHI HUI MAO DOUHildebrandt Tephrosia*(1S,12S)-15-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene-1,16-diol3,6a-Dihydroxy-2-methoxy-8,9-methylenedioxypterocarpan99624-64-3CHEBI:5718DTXSID00331947LMPK12070129Q27106866
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029386
Npass
NPC61219
Tcmid
9539
Sym Map
SMIT24429
Pub Chem
442773
Tcmbank
TCMBANKIN041995
Etcm Ingredient
Hildecarpin
Itcmdb Generated
ITX-INGREDIENT-B181461FFBFAITX-INGREDIENT-CE9502C51ACD
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H14O7/c1-20-13-2-8-11(4-10(13)18)21-6-17(19)9-3-14-15(23-7-22-14)5-12(9)24-16(8)17/h2-5,16,18-19H,6-7H2,1H3/t16-,17+/m0/s1
Mol Wt
330.292
Mol Log P
1.8432
Version
v2
In Ch Ikey
DQXBSJMCLQLJKV-DLBZAZTESA-N
Suppress
0
Tcm Name
希氏灰毛豆*
Tcm Name2
XI SHI HUI MAO DOU
Mol2 Path
/TCM_database/2007_3d_all/09540.mol2
Reference
658
Num Hdonors
2
Tcm Name En
Hildebrandt Tephrosia*
Drug Likeness
0.825
Num Hacceptors
7
Isomeric Smiles
COC1=C(C=C2C(=C1)[C@H]3[C@@](CO2)(C4=CC5=C(C=C4O3)OCO5)O)O
Canonical Smiles
COC1=C(C=C2C(=C1)C3C(CO2)(C4=CC5=C(C=C4O3)OCO5)O)O
Herb Alias Names
99624-64-3(1S,12S)-15-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene-1,16-diol3,6a-Dihydroxy-2-methoxy-8,9-methylenedioxypterocarpanCHEBI:5718DTXSID00331947LMPK12070129Q27106866
Molecular Weight
330.070
Molecular Weight
330.29 g/mol
Molecular Formula
C17H14O7
Molecular Formula
C17H14O7
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.413
Quantitative Estimate Of Drug Likeness（Qed）
0.825