Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20366
- Core Entity Id
- 25817
- Source Entity Count
- 1
- Preferred Name
- Globulixanthone d
- Name En
- Pubchem Id
- 5317658
- Smiles Canonical
- CC(=CCC1=CC2=C(C(=C1O)OC)OC3=CC=CC(=C3C2=O)O)C
- Molecular Formula
- C19H18O5
- Molecular Weight
- 326.3480
- Inchikey
- KAGMDUVDNXNTNK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H18O5/c1-10(2)7-8-11-9-12-17(22)15-13(20)5-4-6-14(15)24-18(12)19(23-3)16(11)21/h4-7,9,20-21H,8H2,1-3H3
- Isomeric Smiles
- CC(=CCC1=CC2=C(C(=C1O)OC)OC3=CC=CC(=C3C2=O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 3.8747
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5640
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Globulixanthone D
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Globulixanthone D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Globulixanthone d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Globulixanthone d
Role
preferred
Source
itcmdb_public
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
Aliases
Additional names normalized into the restored final schema.
台湾绿岛藤黄TAI WAN LV DAO TENG HUANGLanyu Garcinia
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027968
Npass
NPC126475
Tcmid
8555
Pub Chem
5317658
Tcmbank
TCMBANKIN041583
Etcm Ingredient
Globulixanthone D
Itcmdb Generated
ITX-INGREDIENT-CF82257DB0E6
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H18O5/c1-10(2)7-8-11-9-12-17(22)15-13(20)5-4-6-14(15)24-18(12)19(23-3)16(11)21/h4-7,9,20-21H,8H2,1-3H3
Mol Wt
326.3480000000001
Mol Log P
3.874700000000002
In Ch Ikey
KAGMDUVDNXNTNK-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/08556.mol2
Reference
2029, 4094
Num Hdonors
2
Tcm Name En
Lanyu Garcinia
Drug Likeness
0.564
Num Hacceptors
5
Isomeric Smiles
CC(=CCC1=CC2=C(C(=C1O)OC)OC3=CC=CC(=C3C2=O)O)C
Canonical Smiles
CC(=CCC1=CC2=C(C(=C1O)OC)OC3=CC=CC(=C3C2=O)O)C
Molecular Weight
326.120
Molecular Formula
C19H18O5
Molecular Formula
C19H18O5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.413
Quantitative Estimate Of Drug Likeness（Qed）
0.564