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
- 34085
- Core Entity Id
- 41081
- Source Entity Count
- 1
- Preferred Name
- Strophadogenin
- Name En
- Pubchem Id
- 102093782
- Smiles Canonical
- CC12CCC3C(C1(CC(C2C4=CC(=O)OC4)O)O)CCC5(C3(CCC(C5)O)C=O)O
- Molecular Formula
- C23H32O7
- Molecular Weight
- 420.5020
- Inchikey
- LKRKDJSHACERQF-IRGUHJFESA-N
- Inchi
- InChI=1S/C23H32O7/c1-20-5-3-15-16(4-7-22(28)9-14(25)2-6-21(15,22)12-24)23(20,29)10-17(26)19(20)13-8-18(27)30-11-13/h8,12,14-17,19,25-26,28-29H,2-7,9-11H2,1H3/t14-,15-,16+,17-,19-,20+,21-,22-,23-/m0/s1
- Isomeric Smiles
- C[C@]12CC[C@H]3[C@H]([C@]1(C[C@@H]([C@@H]2C4=CC(=O)OC4)O)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)C=O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.8690
- Num H Donors
- 4
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.3860
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Strophadogenin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Strophadogenin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Strophadogenin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Strophadogenin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
黑杠柳
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HEI GANG LIU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Black Silkvine
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(3I(2),5I(2),16I(2))-3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3I(2),5I(2),16I(2))-3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide
Role
alias
Source
HERB_v2
Preferred
No
Name
808-18-4
Role
alias
Source
HERB_v2
Preferred
No
Name
808-18-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS030504130
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS030504130
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID501186864
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID501186864
Role
alias
Source
HERB_v2
Preferred
No
Name
NS00093749
Role
alias
Source
itcmdb_public
Preferred
No
Name
NS00093749
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL21578403
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL21578403
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
黑杠柳HEI GANG LIUBlack Silkvine(3I(2),5I(2),16I(2))-3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide808-18-4AKOS030504130DTXSID501186864NS00093749SCHEMBL21578403
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044984
Tcmid
20379
Pub Chem
10209378211876172
Tcmbank
TCMBANKIN043050
Etcm Ingredient
Strophadogenin
Itcmdb Generated
ITX-INGREDIENT-6BFAC8AC98EE
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H32O7/c1-20-5-3-15-16(4-7-22(28)9-14(25)2-6-21(15,22)12-24)23(20,29)10-17(26)19(20)13-8-18(27)30-11-13/h8,12,14-17,19,25-26,28-29H,2-7,9-11H2,1H3/t14-,15-,16+,17-,19-,20+,21-,22-,23-/m0/s1
Mol Wt
420.5020000000003
Mol Log P
0.869
In Ch Ikey
LKRKDJSHACERQF-IRGUHJFESA-N
Tcm Name
黑杠柳
Tcm Name2
HEI GANG LIU
Mol2 Path
/TCM_database/2007_3d_all/20395.mol2
Reference
1521, 2498
Num Hdonors
4
Tcm Name En
Black Silkvine
Drug Likeness
0.386
Num Hacceptors
7
Isomeric Smiles
C[C@]12CC[C@H]3[C@H]([C@]1(C[C@@H]([C@@H]2C4=CC(=O)OC4)O)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)C=O)O
Canonical Smiles
CC12CCC3C(C1(CC(C2C4=CC(=O)OC4)O)O)CCC5(C3(CCC(C5)O)C=O)O
Herb Alias Names
808-18-4SCHEMBL21578403DTXSID501186864AKOS030504130NS00093749(3I(2),5I(2),16I(2))-3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide
Molecular Weight
420.210
Molecular Weight
420.5 g/mol
Molecular Formula
C23H32O7
Molecular Formula
C23H32O7
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.926
Quantitative Estimate Of Drug Likeness（Qed）
0.461