Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15379
- Core Entity Id
- 20261
- Source Entity Count
- 1
- Preferred Name
- Criasiaticidine a
- Name En
- Pubchem Id
- 10015025
- Smiles Canonical
- C1=CC2=C3C(=C1)C4=CC(=C(C=C4C(=O)N3C=C2)O)O
- Molecular Formula
- C15H9NO3
- Molecular Weight
- 251.2410
- Inchikey
- KLZMKXANTDISDA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H9NO3/c17-12-6-10-9-3-1-2-8-4-5-16(14(8)9)15(19)11(10)7-13(12)18/h1-7,17-18H
- Isomeric Smiles
- C1=CC2=C3C(=C1)C4=CC(=C(C=C4C(=O)N3C=C2)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.4549
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3730
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Criasiaticidine A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Criasiaticidine a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Criasiaticidine a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
鳞茎种子文殊兰
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LIN JING ZHONG ZI WEN SHU LAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Bulb-spermo Crinum*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
11013-98-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
11013-98-2
Role
alias
Source
HERB_v2
Preferred
No
Name
4,5-dihydroxy-9-azatetracyclo(7.6.1.02,7.012,16)hexadeca-1(15),2,4,6,10,12(16),13-heptaen-8-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,5-dihydroxy-9-azatetracyclo(7.6.1.02,7.012,16)hexadeca-1(15),2,4,6,10,12(16),13-heptaen-8-one
Role
alias
Source
HERB_v2
Preferred
No
Name
Hippacine
Role
alias
Source
HERB_v2
Preferred
No
Name
Hippacine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
鳞茎种子文殊兰LIN JING ZHONG ZI WEN SHU LANBulb-spermo Crinum*11013-98-24,5-dihydroxy-9-azatetracyclo(7.6.1.02,7.012,16)hexadeca-1(15),2,4,6,10,12(16),13-heptaen-8-oneHippacine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021684
Tcmid
4234
Pub Chem
10015025
Tcmbank
TCMBANKIN043837
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H9NO3/c17-12-6-10-9-3-1-2-8-4-5-16(14(8)9)15(19)11(10)7-13(12)18/h1-7,17-18H
Mol Wt
251.241
Mol Log P
2.454900000000001
In Ch Ikey
KLZMKXANTDISDA-UHFFFAOYSA-N
Tcm Name
鳞茎种子文殊兰
Tcm Name2
LIN JING ZHONG ZI WEN SHU LAN
Mol2 Path
/TCM_database/2007_3d_all/04235.mol2
Reference
3997, 4125
Num Hdonors
2
Tcm Name En
Bulb-spermo Crinum*
Drug Likeness
0.373
Num Hacceptors
4
Isomeric Smiles
C1=CC2=C3C(=C1)C4=CC(=C(C=C4C(=O)N3C=C2)O)O
Canonical Smiles
C1=CC2=C3C(=C1)C4=CC(=C(C=C4C(=O)N3C=C2)O)O
Herb Alias Names
Hippacine11013-98-24,5-dihydroxy-9-azatetracyclo(7.6.1.02,7.012,16)hexadeca-1(15),2,4,6,10,12(16),13-heptaen-8-one4,5-dihydroxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,10,12(16),13-heptaen-8-one
Molecular Formula
C15H9NO3
Num Rotatable Bonds
0