Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 13774
- Core Entity Id
- 18480
- Source Entity Count
- 1
- Preferred Name
- Carnegine
- Name En
- Pubchem Id
- 22646
- Smiles Canonical
- CC1C2=CC(=C(C=C2CCN1C)OC)OC
- Molecular Formula
- C13H19NO2
- Molecular Weight
- 221.3000
- Inchikey
- HRSIPKSSEVRSPG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3
- Isomeric Smiles
- CC1C2=CC(=C(C=C2CCN1C)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.2527
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7640
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Carnegine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Carnegine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Carnegine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(+/-)-CARNEGINE
Role
alias
Source
HERB_v2
Preferred
No
Name
(+/-)-CARNEGINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
490-53-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
490-53-9
Role
alias
Source
HERB_v2
Preferred
No
Name
CARNEGINE [MI]
Role
alias
Source
itcmdb_public
Preferred
No
Name
CARNEGINE [MI]
Role
alias
Source
HERB_v2
Preferred
No
Name
Carnegin
Role
alias
Source
HERB_v2
Preferred
No
Name
Carnegin
Role
alias
Source
itcmdb_public
Preferred
No
Name
EOW70A27WK
Role
alias
Source
itcmdb_public
Preferred
No
Name
EOW70A27WK
Role
alias
Source
HERB_v2
Preferred
No
Name
Pectenin
Role
alias
Source
HERB_v2
Preferred
No
Name
Pectenin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pectenine
Role
alias
Source
HERB_v2
Preferred
No
Name
Pectenine
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-EOW70A27WK
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-EOW70A27WK
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+/-)-CARNEGINE490-53-9CARNEGINE [MI]CarneginEOW70A27WKPecteninPectenineUNII-EOW70A27WK
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN019750
Tcmid
16734
Pub Chem
22646
Tcmbank
TCMBANKIN028746
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3
Mol Wt
221.3
Smiles
CC1C2=CC(=C(C=C2CCN1C)OC)OC
Mol Log P
2.2527
In Ch Ikey
HRSIPKSSEVRSPG-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.764
Num Hacceptors
3
Isomeric Smiles
CC1C2=CC(=C(C=C2CCN1C)OC)OC
Canonical Smiles
CC1C2=CC(=C(C=C2CCN1C)OC)OC
Herb Alias Names
PectenineCarneginPectenin490-53-9EOW70A27WKCARNEGINE [MI](.+/-.)-PectenineUNII-EOW70A27WK(+/-)-CARNEGINE
Molecular Weight
221.29 g/mol
Molecular Formula
C13H19NO2
Molecular Formula
C13H19NO2
Num Rotatable Bonds
2