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
- 19858
- Core Entity Id
- 25254
- Source Entity Count
- 1
- Preferred Name
- Garcibenzopyran
- Name En
- Pubchem Id
- 10409981
- Smiles Canonical
- CC(C)(C(COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OCC(C(C)(C)O)O)O)O
- Molecular Formula
- C21H26O9
- Molecular Weight
- 422.4300
- Inchikey
- KWEVWSFHZRLPIY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H26O9/c1-20(2,25)13(22)9-28-16-11-5-6-15(24)30-18(11)19(17-12(16)7-8-27-17)29-10-14(23)21(3,4)26/h5-8,13-14,22-23,25-26H,9-10H2,1-4H3
- Isomeric Smiles
- CC(C)(C(COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OCC(C(C)(C)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.5604
- Num H Donors
- 4
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.3980
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Garcibenzopyran
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Garcibenzopyran
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Garcibenzopyran
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
台湾绿岛藤黄
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TAI WAN LV DAO TENG HUANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Lanyu Garcinia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
C21H26O9
Role
alias
Source
itcmdb_public
Preferred
No
Name
C21H26O9
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
台湾绿岛藤黄TAI WAN LV DAO TENG HUANGLanyu GarciniaC21H26O9
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027334
Tcmid
8202
Pub Chem
10409981
Tcmbank
TCMBANKIN048854
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H26O9/c1-20(2,25)13(22)9-28-16-11-5-6-15(24)30-18(11)19(17-12(16)7-8-27-17)29-10-14(23)21(3,4)26/h5-8,13-14,22-23,25-26H,9-10H2,1-4H3
Mol Wt
422.4300000000002
Mol Log P
1.560400000000001
In Ch Ikey
KWEVWSFHZRLPIY-UHFFFAOYSA-N
Tcm Name
台湾绿岛藤黄
Tcm Name2
TAI WAN LV DAO TENG HUANG
Mol2 Path
/TCM_database/2007_3d_all/08203.mol2
Reference
4094
Num Hdonors
4
Tcm Name En
Lanyu Garcinia
Drug Likeness
0.398
Num Hacceptors
9
Isomeric Smiles
CC(C)(C(COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OCC(C(C)(C)O)O)O)O
Canonical Smiles
CC(C)(C(COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OCC(C(C)(C)O)O)O)O
Herb Alias Names
C21H26O9
Molecular Formula
C21H26O9
Num Rotatable Bonds
8