Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Trial: 2Herb: 3Ingredient: 1Reference: 1Target: 12Links: 18
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30742
- Core Entity Id
- 37351
- Source Entity Count
- 1
- Preferred Name
- Prostaglandin e1
- Name En
- Pubchem Id
- 5280723
- Smiles Canonical
- CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O
- Molecular Formula
- C20H34O5
- Molecular Weight
- 354.4870
- Inchikey
- GMVPRGQOIOIIMI-DWKJAMRDSA-N
- Inchi
- InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1
- Isomeric Smiles
- CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 3.4751
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 13
- Drug Likeness
- 0.3480
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Prostaglandin E1
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Prostaglandin E1
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Prostaglandin e1
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Prostaglandin e1
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
鹿茸
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LU RONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Hairy Antler
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
745-65-3
Role
alias
Source
HERB_v2
Preferred
No
Name
745-65-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Alprostadilum
Role
alias
Source
HERB_v2
Preferred
No
Name
Alprostadilum
Role
alias
Source
itcmdb_public
Preferred
No
Name
Befar
Role
alias
Source
itcmdb_public
Preferred
No
Name
Befar
Role
alias
Source
HERB_v2
Preferred
No
Name
Caverject
Role
alias
Source
itcmdb_public
Preferred
No
Name
Caverject
Role
alias
Source
HERB_v2
Preferred
No
Name
Edex
Role
alias
Source
itcmdb_public
Preferred
No
Name
Edex
Role
alias
Source
HERB_v2
Preferred
No
Name
Muse
Role
alias
Source
HERB_v2
Preferred
No
Name
Muse
Role
alias
Source
itcmdb_public
Preferred
No
Name
PGE1
Role
alias
Source
HERB_v2
Preferred
No
Name
PGE1
Role
alias
Source
itcmdb_public
Preferred
No
Name
Prostin VR
Role
alias
Source
HERB_v2
Preferred
No
Name
Prostin VR
Role
alias
Source
itcmdb_public
Preferred
No
Name
alprostadil
Role
alias
Source
HERB_v2
Preferred
No
Name
alprostadil
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tong acid alpha-
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
CBiol_001943
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:92915
Role
alias
Source
HERB_v2
Preferred
No
Name
KBioGR_000208
Role
alias
Source
HERB_v2
Preferred
No
Name
KBioSS_000208
Role
alias
Source
HERB_v2
Preferred
No
Name
Kaishi
Role
alias
Source
HERB_v2
Preferred
No
Name
Prestwick0_001018
Role
alias
Source
itcmdb_public
Preferred
No
Name
Prestwick1_001018
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL2962928
Role
alias
Source
HERB_v2
Preferred
No
Name
SPBio_003046
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
鹿茸LU RONGHairy Antler745-65-3AlprostadilumBefarCaverjectEdexMusePGE1Prostin VRalprostadilTong acid alpha-7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acidCBiol_001943CHEBI:92915KBioGR_000208KBioSS_000208KaishiPrestwick0_001018Prestwick1_001018SCHEMBL2962928SPBio_003046
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040885HBIN046542
Npass
NPC292220
Tcmid
1794039083
Sym Map
SMIT26262
Pub Chem
5280723149351
Tcmbank
TCMBANKIN015996
Drug Bank
DB00770
Itcmdb Generated
ITX-INGREDIENT-1C0FB0619E1EITX-INGREDIENT-6F8CBF192B2D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients,Metabolic ingredients
In Ch I
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1
Mol Wt
354.487
Mol Log P
3.475100000000003
Version
v2
In Ch Ikey
GMVPRGQOIOIIMI-DWKJAMRDSA-N
Suppress
0
Tcm Name
鹿茸
Tcm Name2
LU RONG
Mol2 Path
/TCM_database/2007_3d_all/17954.mol2
Reference
1521, 3332, 5507
Num Hdonors
3
Tcm Name En
Hairy Antler
Drug Likeness
0.348
Num Hacceptors
4
Isomeric Smiles
CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O
Canonical Smiles
CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O
Herb Alias Names
alprostadil745-65-3PGE1EdexCaverjectMuseProstin VRBefarAlprostadilum
Molecular Formula
C20H34O5
Num Rotatable Bonds
13