Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Reference: 2Target: 12Links: 19
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12713
- Core Entity Id
- 17302
- Source Entity Count
- 1
- Preferred Name
- Biliverdin
- Name En
- Pubchem Id
- 251
- Smiles Canonical
- CC1=C(C(=CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)[O-])NC1=CC4=NC(=O)C(=C4C)C=C)CCC(=O)[O-]
- Molecular Formula
- C33H34N4O6
- Molecular Weight
- 582.6570
- Inchikey
- RCNSAJSGRJSBKK-NSQVQWHSSA-N
- Inchi
- InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)(H,40,41)/b24-13-,27-14-,28-15-
- Isomeric Smiles
- CC\1=C(/C(=C/C2=C(C(=C(N2)/C=C\3/C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)/N/C1=C\C4=NC(=O)C(=C4C)C=C)CCC(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 3.0602
- Num H Donors
- 5
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 11
- Drug Likeness
- 0.2730
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Biliverdin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Biliverdin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Biliverdin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Biliverdin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
biliverdin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
114-25-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
114-25-0
Role
alias
Source
HERB_v2
Preferred
No
Name
21H-Biline-8,12-dipropanoic acid, 3,18-diethenyl-1,19,22,24-tetrahydro-2,7,13,17-tetramethyl-1,19-dioxo-
Role
alias
Source
itcmdb_public
Preferred
No
Name
21H-Biline-8,12-dipropanoic acid, 3,18-diethenyl-1,19,22,24-tetrahydro-2,7,13,17-tetramethyl-1,19-dioxo-
Role
alias
Source
HERB_v2
Preferred
No
Name
Biliverdin IX
Role
alias
Source
HERB_v2
Preferred
No
Name
Biliverdin IX
Role
alias
Source
itcmdb_public
Preferred
No
Name
Biliverdin IX alpha
Role
alias
Source
HERB_v2
Preferred
No
Name
Biliverdin IX alpha
Role
alias
Source
itcmdb_public
Preferred
No
Name
Biliverdine Ix Alpha
Role
alias
Source
itcmdb_public
Preferred
No
Name
Biliverdine Ix Alpha
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:57991
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:57991
Role
alias
Source
SymMap_v2
Preferred
No
Name
Oocyan
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oocyan
Role
alias
Source
HERB_v2
Preferred
No
Name
biliverdin dianion
Role
alias
Source
SymMap_v2
Preferred
No
Name
biliverdin dianion
Role
alias
Source
TCMBank
Preferred
No
Name
biliverdin(2-)
Role
alias
Source
SymMap_v2
Preferred
No
Name
biliverdin(2-)
Role
alias
Source
TCMBank
Preferred
No
Name
biliverdine
Role
alias
Source
itcmdb_public
Preferred
No
Name
biliverdine
Role
alias
Source
HERB_v2
Preferred
No
Name
dehydrobilirubin
Role
alias
Source
itcmdb_public
Preferred
No
Name
dehydrobilirubin
Role
alias
Source
HERB_v2
Preferred
No
Name
uteroverdine
Role
alias
Source
HERB_v2
Preferred
No
Name
uteroverdine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
114-25-021H-Biline-8,12-dipropanoic acid, 3,18-diethenyl-1,19,22,24-tetrahydro-2,7,13,17-tetramethyl-1,19-dioxo-Biliverdin IXBiliverdin IX alphaBiliverdine Ix AlphaCHEBI:57991Oocyanbiliverdin dianionbiliverdin(2-)biliverdinedehydrobilirubinuteroverdine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018511
Npass
NPC79746
Tcmid
2375
Sym Map
SMIT14474
Tcm Id
125311253212533144751447614866148671486814869148701518815707
Pub Chem
25125245769528035353154555353439618335763232366658876666588767
Tcmbank
TCMBANKIN036857
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)(H,40,41)/b24-13-,27-14-,28-15-
Mol Wt
582.6570000000004
Smiles
CC1=C(C(=CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)[O-])NC1=CC4=NC(=O)C(=C4C)C=C)CCC(=O)[O-]
Mol Log P
3.060240000000001
Version
v1,v2
In Ch Ikey
RCNSAJSGRJSBKK-NSQVQWHSSA-N
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/02375.mol2
Reference
2
Num Hdonors
5
Drug Likeness
0.273
Num Hacceptors
4
Isomeric Smiles
CC\1=C(/C(=C/C2=C(C(=C(N2)/C=C\3/C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)/N/C1=C\C4=NC(=O)C(=C4C)C=C)CCC(=O)O
Canonical Smiles
CC1=C(C(=CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)NC1=CC4=NC(=O)C(=C4C)C=C)CCC(=O)O
Herb Alias Names
biliverdineBiliverdine Ix AlphaBiliverdin IX alpha114-25-0uteroverdineBiliverdin IXdehydrobilirubinOocyan21H-Biline-8,12-dipropanoic acid, 3,18-diethenyl-1,19,22,24-tetrahydro-2,7,13,17-tetramethyl-1,19-dioxo-
Molecular Weight
580.6 g/mol
Molecule Formula
C33H34N4O6
Molecular Formula
C33H32N4O6-2
Molecular Formula
C33H34N4O6
Num Rotatable Bonds
11