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
- 30638
- Core Entity Id
- 37236
- Source Entity Count
- 1
- Preferred Name
- Proceragenin
- Name En
- Pubchem Id
- 101630403
- Smiles Canonical
- CC12CCCCC1CC(C3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O
- Molecular Formula
- C23H34O4
- Molecular Weight
- 374.5210
- Inchikey
- ZYEOCZJSKXSFRT-MMBQXPGUSA-N
- Inchi
- InChI=1S/C23H34O4/c1-21-8-4-3-5-15(21)12-18(24)20-17(21)6-9-22(2)16(7-10-23(20,22)26)14-11-19(25)27-13-14/h11,15-18,20,24,26H,3-10,12-13H2,1-2H3/t15-,16-,17+,18+,20+,21+,22-,23+/m1/s1
- Isomeric Smiles
- C[C@]12CCCC[C@@H]1C[C@@H]([C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O
- Cas Id
- Ob Score
- Mol Logp
- 3.6043
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Proceragenin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Proceragenin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Proceragenin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
长牛角瓜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHANG NIU JIAO GUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Long Calotrope*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(5I+/-,7I(2))-7,14-Dihydroxycard-20(22)-enolide
Role
alias
Source
HERB_v2
Preferred
No
Name
(5I+/-,7I(2))-7,14-Dihydroxycard-20(22)-enolide
Role
alias
Source
itcmdb_public
Preferred
No
Name
144334-40-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
144334-40-7
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID101269549
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID101269549
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
长牛角瓜CHANG NIU JIAO GUALong Calotrope*(5I+/-,7I(2))-7,14-Dihydroxycard-20(22)-enolide144334-40-7DTXSID101269549
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040749
Npass
NPC301263
Tcmid
17856
Pub Chem
101630403
Tcmbank
TCMBANKIN049290
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H34O4/c1-21-8-4-3-5-15(21)12-18(24)20-17(21)6-9-22(2)16(7-10-23(20,22)26)14-11-19(25)27-13-14/h11,15-18,20,24,26H,3-10,12-13H2,1-2H3/t15-,16-,17+,18+,20+,21+,22-,23+/m1/s1
Mol Wt
374.5210000000001
Mol Log P
3.604300000000003
In Ch Ikey
ZYEOCZJSKXSFRT-MMBQXPGUSA-N
Tcm Name
长牛角瓜
Tcm Name2
CHANG NIU JIAO GUA
Mol2 Path
/TCM_database/2007_3d_all/17870.mol2
Reference
3643
Num Hdonors
2
Tcm Name En
Long Calotrope*
Drug Likeness
0.688
Num Hacceptors
4
Isomeric Smiles
C[C@]12CCCC[C@@H]1C[C@@H]([C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O
Canonical Smiles
CC12CCCCC1CC(C3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O
Herb Alias Names
DTXSID101269549(5I+/-,7I(2))-7,14-Dihydroxycard-20(22)-enolide144334-40-7
Molecular Formula
C23H34O4
Num Rotatable Bonds
1