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
- 29318
- Core Entity Id
- 35773
- Source Entity Count
- 1
- Preferred Name
- Pendulamine b
- Name En
- Pubchem Id
- 10065787
- Smiles Canonical
- COC1=C(C(=C2C(=C1)C=C3C4=C(CCN3C2=O)C=C(C=C4)O)OC)O
- Molecular Formula
- C19H17NO5
- Molecular Weight
- 339.3470
- Inchikey
- OKUCNTRUAHRGRI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H17NO5/c1-24-15-9-11-8-14-13-4-3-12(21)7-10(13)5-6-20(14)19(23)16(11)18(25-2)17(15)22/h3-4,7-9,21-22H,5-6H2,1-2H3
- Isomeric Smiles
- COC1=C(C(=C2C(=C1)C=C3C4=C(CCN3C2=O)C=C(C=C4)O)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 2.6530
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7500
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Pendulamine B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Pendulamine b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pendulamine b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
变种长叶暗罗
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BIAN ZHONG CHANG YE AN LUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
India Greenstar
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
变种长叶暗罗BIAN ZHONG CHANG YE AN LUOIndia Greenstar
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039098
Tcmid
16788
Tcm Id
20562
Pub Chem
10065787
Tcmbank
TCMBANKIN044292
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H17NO5/c1-24-15-9-11-8-14-13-4-3-12(21)7-10(13)5-6-20(14)19(23)16(11)18(25-2)17(15)22/h3-4,7-9,21-22H,5-6H2,1-2H3
Mol Wt
339.347
Mol Log P
2.653000000000001
In Ch Ikey
OKUCNTRUAHRGRI-UHFFFAOYSA-N
Tcm Name
变种长叶暗罗
Tcm Name2
BIAN ZHONG CHANG YE AN LUO
Mol2 Path
/TCM_database/2007_3d_all/16800.mol2
Reference
5386
Num Hdonors
2
Tcm Name En
India Greenstar
Drug Likeness
0.75
Num Hacceptors
6
Isomeric Smiles
COC1=C(C(=C2C(=C1)C=C3C4=C(CCN3C2=O)C=C(C=C4)O)OC)O
Canonical Smiles
COC1=C(C(=C2C(=C1)C=C3C4=C(CCN3C2=O)C=C(C=C4)O)OC)O
Molecular Weight
0
Molecular Formula
C19H17NO5
Num Rotatable Bonds
2