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
- 24448
- Core Entity Id
- 30363
- Source Entity Count
- 1
- Preferred Name
- Leucamenin b
- Name En
- Pubchem Id
- 435215
- Smiles Canonical
- CC(=O)OC1CC2(C3CCC4C(C3(C(CC2C(C1OC(=O)C)(C)C)O)C(=O)C4=C)O)C
- Molecular Formula
- C24H34O7
- Molecular Weight
- 434.5290
- Inchikey
- ZUYCXZKSCBNOSX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C24H34O7/c1-11-14-7-8-16-23(6)10-15(30-12(2)25)21(31-13(3)26)22(4,5)17(23)9-18(27)24(16,19(11)28)20(14)29/h14-18,20-21,27,29H,1,7-10H2,2-6H3
- Isomeric Smiles
- CC(=O)OC1CC2(C3CCC4C(C3(C(CC2C(C1OC(=O)C)(C)C)O)C(=O)C4=C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 2.1792
- Num H Donors
- 2
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5060
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Leucamenin B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Leucamenin b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Leucamenin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
卡美香茶菜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
KA MEI XIANG CHA CAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Kamei Rabdosia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
LEUKAMENIN B
Role
alias
Source
itcmdb_public
Preferred
No
Name
LEUKAMENIN B
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-365730
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC365730
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
卡美香茶菜KA MEI XIANG CHA CAIKamei Rabdosia*LEUKAMENIN BNSC-365730NSC365730
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032984
Tcmid
12703
Pub Chem
435215
Tcmbank
TCMBANKIN047037
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H34O7/c1-11-14-7-8-16-23(6)10-15(30-12(2)25)21(31-13(3)26)22(4,5)17(23)9-18(27)24(16,19(11)28)20(14)29/h14-18,20-21,27,29H,1,7-10H2,2-6H3
Mol Wt
434.5290000000003
Mol Log P
2.1792
In Ch Ikey
ZUYCXZKSCBNOSX-UHFFFAOYSA-N
Tcm Name
卡美香茶菜
Tcm Name2
KA MEI XIANG CHA CAI
Mol2 Path
/TCM_database/2007_3d_all/12709.mol2
Reference
406
Num Hdonors
2
Tcm Name En
Kamei Rabdosia*
Drug Likeness
0.506
Num Hacceptors
7
Isomeric Smiles
CC(=O)OC1CC2(C3CCC4C(C3(C(CC2C(C1OC(=O)C)(C)C)O)C(=O)C4=C)O)C
Canonical Smiles
CC(=O)OC1CC2(C3CCC4C(C3(C(CC2C(C1OC(=O)C)(C)C)O)C(=O)C4=C)O)C
Herb Alias Names
NSC365730LEUKAMENIN BNSC-365730
Molecular Formula
C24H34O7
Num Rotatable Bonds
2