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
- 29019
- Core Entity Id
- 35441
- Source Entity Count
- 1
- Preferred Name
- Panalicin
- Name En
- Pubchem Id
- 14779587
- Smiles Canonical
- CCCCCCC(CCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCC(CCC3=CC(OC3=O)C)O)O)O)O
- Molecular Formula
- C37H66O8
- Molecular Weight
- 638.9270
- Inchikey
- TWTBOPCYWWNZHH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C37H66O8/c1-3-4-5-11-15-29(38)17-14-19-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)18-13-10-8-6-7-9-12-16-30(39)21-20-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3
- Isomeric Smiles
- CCCCCCC(CCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCC(CCC3=CC(OC3=O)C)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 6.8287
- Num H Donors
- 4
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 25
- Drug Likeness
- 0.0630
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Panalicin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Panalicin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Panalicin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
那耳紫玉盘
Role
TCM_name
Source
TCMBank
Preferred
No
Name
NA ER ZI YU PAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Nar Uvaria*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
那耳紫玉盘NA ER ZI YU PANNar Uvaria*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038731
Tcmid
16573
Pub Chem
14779587
Tcmbank
TCMBANKIN049652
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C37H66O8/c1-3-4-5-11-15-29(38)17-14-19-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)18-13-10-8-6-7-9-12-16-30(39)21-20-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3
Mol Wt
638.9270000000007
Mol Log P
6.828700000000011
In Ch Ikey
TWTBOPCYWWNZHH-UHFFFAOYSA-N
Tcm Name
那耳紫玉盘
Tcm Name2
NA ER ZI YU PAN
Mol2 Path
/TCM_database/2007_3d_all/16584.mol2
Reference
3684, 3685
Num Hdonors
4
Tcm Name En
Nar Uvaria*
Drug Likeness
0.063
Num Hacceptors
8
Isomeric Smiles
CCCCCCC(CCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCC(CCC3=CC(OC3=O)C)O)O)O)O
Canonical Smiles
CCCCCCC(CCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCC(CCC3=CC(OC3=O)C)O)O)O)O
Molecular Weight
638.9 g/mol
Molecular Formula
C37H66O8
Num Rotatable Bonds
25