Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16059
- Core Entity Id
- 21018
- Source Entity Count
- 1
- Preferred Name
- Cytochrome c
- Name En
- Pubchem Id
- 439171
- Smiles Canonical
- CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C(C)SCC(C(=O)NC)N)C)C(C)SCC(C(=O)NC)N)C)C(=C3CCC(=O)O)C)CCC(=O)O.[Fe+2]
- Molecular Formula
- C42H54N8O6S2
- Molecular Weight
- 829.1600
- Inchikey
- WFVBWSTZNVJEAY-UHFFFAOYSA-L
- Inchi
- InChI=1S/C42H54N8O6S2.Fe/c1-19-25(9-11-37(51)52)33-16-34-26(10-12-38(53)54)20(2)30(48-34)14-35-40(24(6)58-18-28(44)42(56)46-8)22(4)32(50-35)15-36-39(21(3)31(49-36)13-29(19)47-33)23(5)57-17-27(43)41(55)45-7;/h13-16,23-24,27-28H,9-12,17-18,43-44H2,1-8H3,(H6,45,46,47,48,49,50,51,52,53,54,55,56);/q;+2/p-2
- Isomeric Smiles
- Cas Id
- 9007-43-6
- Ob Score
- 5.4517
- Mol Logp
- 4.9932
- Num H Donors
- 6
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 16
- Drug Likeness
- Polar Surface Area
- 262.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cytochrome C
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Cytochrome C
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cytochrome c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cytochrome c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
cytochrome C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
cytochrome C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
cytochrome c
Role
alias
Source
TCMBank
Preferred
No
Cross References
Trusted external identifiers retained for this final record.
Cas
9007-43-6
Herb
HBIN022525
Tcmsp
MOL009842
Sym Map
SMIT10924
Tcm Id
5205
Pub Chem
439171
Tcmbank
TCMBANKIN020964
Etcm Ingredient
cytochrome C
Itcmdb Generated
ITX-INGREDIENT-B1AE13906768
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Cas Id
9007-43-6
Version
v1,v2
Ob Score
5.451655.4516504265.452
Suppress
0
Molecule Weight
829.16
Molecular Weight
830.360
Molecular Weight
829.16
Molecular Formula
C42H54N8O6S2
Fda Maximum Daily Dose (Fdamdd)
0.977
Quantitative Estimate Of Drug Likeness（Qed）
0.086