Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27878
- Core Entity Id
- 34171
- Source Entity Count
- 1
- Preferred Name
- Norbixin
- Name En
- Pubchem Id
- 5281249
- Smiles Canonical
- CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)O)C=CC=C(C)C=CC(=O)O
- Molecular Formula
- C24H28O4
- Molecular Weight
- 380.4840
- Inchikey
- ZVKOASAVGLETCT-UOGKPENDSA-N
- Inchi
- InChI=1S/C24H28O4/c1-19(11-7-13-21(3)15-17-23(25)26)9-5-6-10-20(2)12-8-14-22(4)16-18-24(27)28/h5-18H,1-4H3,(H,25,26)(H,27,28)/b6-5+,11-7+,12-8+,17-15+,18-16+,19-9+,20-10+,21-13+,22-14+
- Isomeric Smiles
- C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C(=O)O)/C)/C)/C=C/C=C(/C=C/C(=O)O)\C
- Cas Id
- Ob Score
- Mol Logp
- 5.7218
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 10
- Drug Likeness
- 0.3750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Norbixin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Norbixin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Norbixin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
norbixin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
542-40-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
542-40-5
Role
alias
Source
HERB_v2
Preferred
No
Name
6,6'-Diapo-psi,psi-carotenedioic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,6'-Diapo-psi,psi-carotenedioic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:7623
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:7623
Role
alias
Source
itcmdb_public
Preferred
No
Name
E 160b
Role
alias
Source
HERB_v2
Preferred
No
Name
E 160b
Role
alias
Source
itcmdb_public
Preferred
No
Name
E8M59E17AI
Role
alias
Source
HERB_v2
Preferred
No
Name
E8M59E17AI
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 208-810-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 208-810-8
Role
alias
Source
HERB_v2
Preferred
No
Name
NORBIXIN(P)
Role
alias
Source
itcmdb_public
Preferred
No
Name
NORBIXIN(P)
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-norbixin
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-norbixin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioic acid542-40-56,6'-Diapo-psi,psi-carotenedioic acidCHEBI:7623E 160bE8M59E17AIEINECS 208-810-8NORBIXIN(P)trans-norbixin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037301
Tcmid
15711
Pub Chem
5281249
Tcmbank
TCMBANKIN017793
Etcm Ingredient
Norbixin
Itcmdb Generated
ITX-INGREDIENT-AA3AA08AAC42
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H28O4/c1-19(11-7-13-21(3)15-17-23(25)26)9-5-6-10-20(2)12-8-14-22(4)16-18-24(27)28/h5-18H,1-4H3,(H,25,26)(H,27,28)/b6-5+,11-7+,12-8+,17-15+,18-16+,19-9+,20-10+,21-13+,22-14+
Mol Wt
380.4840000000001
Smiles
CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)O)C=CC=C(C)C=CC(=O)O
Mol Log P
5.721800000000005
In Ch Ikey
ZVKOASAVGLETCT-UOGKPENDSA-N
Num Hdonors
2
Drug Likeness
0.375
Num Hacceptors
2
Isomeric Smiles
C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C(=O)O)/C)/C)/C=C/C=C(/C=C/C(=O)O)\C
Canonical Smiles
CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)O)C=CC=C(C)C=CC(=O)O
Herb Alias Names
542-40-5NORBIXIN(P)6,6'-Diapo-psi,psi-carotenedioic acidCHEBI:7623E8M59E17AItrans-norbixin(2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioic acidE 160bEINECS 208-810-8
Molecular Weight
380.200
Molecular Weight
380.5 g/mol
Molecular Formula
C24H28O4
Molecular Formula
C24H28O4
Molecular Formula
C24H28O4
Num Rotatable Bonds
10
Fda Maximum Daily Dose (Fdamdd)
0.933
Quantitative Estimate Of Drug Likeness（Qed）
0.375