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
- 16780
- Core Entity Id
- 21821
- Source Entity Count
- 1
- Preferred Name
- Derriscandenoside a
- Name En
- Pubchem Id
- 10366267
- Smiles Canonical
- COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3OC4C(C(C(C(O4)CO)O)O)O)O
- Molecular Formula
- C22H22O10
- Molecular Weight
- 446.4080
- Inchikey
- MERHVPYVJWORNT-LNBCOLIQSA-N
- Inchi
- InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-20-12(16(13)25)6-7-14(24)21(20)32-22-19(28)18(27)17(26)15(8-23)31-22/h2-7,9,15,17-19,22-24,26-28H,8H2,1H3/t15-,17-,18+,19-,22+/m1/s1
- Isomeric Smiles
- COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.3529
- Num H Donors
- 5
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3700
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Derriscandenoside A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Derriscandenoside a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Derriscandenoside a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
攀援鱼藤
Role
TCM_name
Source
TCMBank
Preferred
No
Name
PAN YUAN YU TENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Climbing Jewelvine
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
攀援鱼藤PAN YUAN YU TENGClimbing Jewelvine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023410
Npass
NPC166057
Tcmid
5221
Pub Chem
10366267
Tcmbank
TCMBANKIN050077
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-20-12(16(13)25)6-7-14(24)21(20)32-22-19(28)18(27)17(26)15(8-23)31-22/h2-7,9,15,17-19,22-24,26-28H,8H2,1H3/t15-,17-,18+,19-,22+/m1/s1
Mol Wt
446.4080000000001
Mol Log P
0.3528999999999994
In Ch Ikey
MERHVPYVJWORNT-LNBCOLIQSA-N
Tcm Name
攀援鱼藤
Tcm Name2
PAN YUAN YU TENG
Mol2 Path
/TCM_database/2007_3d_all/05222.mol2
Reference
1976
Num Hdonors
5
Tcm Name En
Climbing Jewelvine
Drug Likeness
0.37
Num Hacceptors
10
Isomeric Smiles
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Canonical Smiles
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3OC4C(C(C(C(O4)CO)O)O)O)O
Molecular Weight
446.4 g/mol
Molecular Formula
C22H22O10
Num Rotatable Bonds
5