Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30506
- Core Entity Id
- 37095
- Source Entity Count
- 1
- Preferred Name
- Porphyrin
- Name En
- Pubchem Id
- 66868
- Smiles Canonical
- C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2
- Molecular Formula
- C20H14N4
- Molecular Weight
- 310.3600
- Inchikey
- JZRYQZJSTWVBBD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H14N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-12,21-22H
- Isomeric Smiles
- C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2
- Cas Id
- Ob Score
- Mol Logp
- 4.6556
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Porphyrin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Porphyrin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Porphyrin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Porphyrin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Porphyrin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
鸡子壳
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JI ZI KE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Hen’s Egg Shell
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
101-60-0
Role
alias
Source
HERB_v2
Preferred
No
Name
101-60-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
21,22-dihydroporphyrin
Role
alias
Source
HERB_v2
Preferred
No
Name
21,22-dihydroporphyrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
21H,23H-Porphin
Role
alias
Source
itcmdb_public
Preferred
No
Name
21H,23H-Porphin
Role
alias
Source
HERB_v2
Preferred
No
Name
21H,23H-Porphine
Role
alias
Source
itcmdb_public
Preferred
No
Name
21H,23H-Porphine
Role
alias
Source
HERB_v2
Preferred
No
Name
604BGD9J5B
Role
alias
Source
itcmdb_public
Preferred
No
Name
604BGD9J5B
Role
alias
Source
HERB_v2
Preferred
No
Name
Porphine
Role
alias
Source
HERB_v2
Preferred
No
Name
Porphine
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-604BGD9J5B
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-604BGD9J5B
Role
alias
Source
HERB_v2
Preferred
No
Name
hydroporphyrin
Role
alias
Source
HERB_v2
Preferred
No
Name
hydroporphyrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
pentaporphyrin i
Role
alias
Source
HERB_v2
Preferred
No
Name
pentaporphyrin i
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
鸡子壳JI ZI KEHen’s Egg Shell101-60-021,22-dihydroporphyrin21H,23H-Porphin21H,23H-Porphine604BGD9J5BPorphineUNII-604BGD9J5Bhydroporphyrinpentaporphyrin i
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040592
Tcmid
17716
Sym Map
SMIT26235
Pub Chem
66868
Tcmbank
TCMBANKIN041459
Itcmdb Generated
ITX-INGREDIENT-EE8E28609209
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H14N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-12,21-22H
Mol Wt
310.36
Mol Log P
4.655600000000002
Version
v2
In Ch Ikey
JZRYQZJSTWVBBD-UHFFFAOYSA-N
Suppress
0
Tcm Name
鸡子壳
Tcm Name2
JI ZI KE
Mol2 Path
/TCM_database/2007_3d_all/17730.mol2
Reference
6, 3290
Num Hdonors
2
Tcm Name En
Hen’s Egg Shell
Drug Likeness
0.437
Num Hacceptors
2
Isomeric Smiles
C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2
Canonical Smiles
C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2
Herb Alias Names
Porphine21H,23H-Porphine101-60-021H,23H-Porphin21,22-dihydroporphyrinpentaporphyrin i604BGD9J5BhydroporphyrinUNII-604BGD9J5B
Molecular Weight
310.4 g/mol
Molecular Formula
C20H14N4
Num Rotatable Bonds
0