Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 10Ingredient: 1Meta-analysis: 2Reference: 1Target: 12Links: 25
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30784
- Core Entity Id
- 37398
- Source Entity Count
- 1
- Preferred Name
- Protoporphyrin
- Name En
- Pubchem Id
- 439347
- Smiles Canonical
- CC1=C(C2=NC1=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=C2)[N-]5)C)CCC(=O)O)CCC(=O)O)C)C)C=C)C.[Fe+2]
- Molecular Formula
- C34H34N4O4
- Molecular Weight
- 562.6700
- Inchikey
- ZCFFYALKHPIRKJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)
- Isomeric Smiles
- CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C=C
- Cas Id
- 553-12-8
- Ob Score
- 30.8600
- Mol Logp
- 7.8086
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.2210
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Protoporphyrin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Protoporphyrin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Protoporphyrin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Protoporphyrin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Protoporphyrin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
553-12-8
Role
alias
Source
HERB_v2
Preferred
No
Name
553-12-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
553-12-8 (FREE ACID)
Role
alias
Source
TCMBank
Preferred
No
Name
Ferrocytochrome
Role
alias
Source
TCMBank
Preferred
No
Name
Ferrocytochrome b-561
Role
alias
Source
TCMBank
Preferred
No
Name
H2ppIX
Role
alias
Source
HERB_v2
Preferred
No
Name
H2ppIX
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kammerer's porphyrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kammerer's porphyrin
Role
alias
Source
HERB_v2
Preferred
No
Name
Kammerer's prophyrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kammerer's prophyrin
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC2632 (FREE ACID)
Role
alias
Source
TCMBank
Preferred
No
Name
Ooporphyrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ooporphyrin
Role
alias
Source
HERB_v2
Preferred
No
Name
PROTOPORPHYRIN (PP)
Role
alias
Source
TCMBank
Preferred
No
Name
Porphyrinogen IX
Role
alias
Source
HERB_v2
Preferred
No
Name
Porphyrinogen IX
Role
alias
Source
itcmdb_public
Preferred
No
Name
Protoporphyrin IX disodium
Role
alias
Source
itcmdb_public
Preferred
No
Name
Protoporphyrin IX disodium
Role
alias
Source
HERB_v2
Preferred
No
Name
Protoporpyrin IX
Role
alias
Source
HERB_v2
Preferred
No
Name
Protoporpyrin IX
Role
alias
Source
itcmdb_public
Preferred
No
Name
protoporphyrin
Role
alias
Source
TCMBank
Preferred
No
Name
protoporphyrin IX
Role
alias
Source
HERB_v2
Preferred
No
Name
protoporphyrin IX
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
553-12-8553-12-8 (FREE ACID)FerrocytochromeFerrocytochrome b-561H2ppIXKammerer's porphyrinKammerer's prophyrinNSC2632 (FREE ACID)OoporphyrinPROTOPORPHYRIN (PP)Porphyrinogen IXProtoporphyrin IX disodiumProtoporpyrin IXprotoporphyrin IX
Cross References
Trusted external identifiers retained for this final record.
Cas
553-12-8
Herb
HBIN040937
Tcmid
17970
Tcmsp
MOL000783
Sym Map
SMIT03309SMIT17346
Pub Chem
4393474971
Tcmbank
TCMBANKIN014161
Drug Bank
DB02285
Etcm Ingredient
Protoporphyrin
Itcmdb Generated
ITX-INGREDIENT-B9F086B6F3D0
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)
Mol Wt
562.6700000000004
Cas Id
553-12-8
Smiles
CC1=C(C2=NC1=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=C2)[N-]5)C)CCC(=O)O)CCC(=O)O)C)C)C=C)C.[Fe+2]
Mol Log P
7.808640000000006
Version
v1,v2
In Ch Ikey
ZCFFYALKHPIRKJ-UHFFFAOYSA-N
Ob Score
30.8630.8602897930.86029
Suppress
1
Num Hdonors
4
Drug Likeness
0.221
Num Hacceptors
4
Isomeric Smiles
CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C=C
Molecule Weight
562.72
Canonical Smiles
CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C=C
Herb Alias Names
protoporphyrin IX553-12-8OoporphyrinProtoporpyrin IXProtoporphyrin IX disodiumPorphyrinogen IXKammerer's prophyrinH2ppIXKammerer's porphyrin
Molecular Weight
562.260
Molecular Weight
562.66
Molecular Formula
C34H34N4O4
Molecular Formula
C34H34N4O4
Molecular Formula
C34H34N4O4
Num Rotatable Bonds
8
Link Ingredient Id
3309.0
Fda Maximum Daily Dose (Fdamdd)
0.868
Quantitative Estimate Of Drug Likeness（Qed）
0.175