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
- 20654
- Core Entity Id
- 26139
- Source Entity Count
- 1
- Preferred Name
- Goniolactone f
- Name En
- Pubchem Id
- 10346383
- Smiles Canonical
- CC(=O)C1C2C(CC(=O)O2)OC1C(C3=CC=CC=C3)OC4=CC(=C5C(=O)CC(OC5=C4)C6=CC=CC=C6)O
- Molecular Formula
- C30H26O8
- Molecular Weight
- 514.5300
- Inchikey
- UBRQHXUVYDXHOP-FPZHPECOSA-N
- Inchi
- InChI=1S/C30H26O8/c1-16(31)26-29-24(15-25(34)38-29)37-30(26)28(18-10-6-3-7-11-18)35-19-12-20(32)27-21(33)14-22(36-23(27)13-19)17-8-4-2-5-9-17/h2-13,22,24,26,28-30,32H,14-15H2,1H3/t22-,24+,26+,28-,29-,30-/m0/s1
- Isomeric Smiles
- CC(=O)[C@@H]1[C@@H]2[C@@H](CC(=O)O2)O[C@@H]1[C@H](C3=CC=CC=C3)OC4=CC(=C5C(=O)C[C@H](OC5=C4)C6=CC=CC=C6)O
- Cas Id
- Ob Score
- Mol Logp
- 4.5069
- Num H Donors
- 1
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.4790
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Goniolactone F
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Goniolactone F
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Goniolactone f
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Goniolactone f
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
哥纳香
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GE NA XIANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Cheliensis Goniothalamus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
哥纳香GE NA XIANGCheliensis Goniothalamus
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028321
Npass
NPC143557
Tcmid
8943
Pub Chem
10346383
Tcmbank
TCMBANKIN044198
Etcm Ingredient
Goniolactone F
Itcmdb Generated
ITX-INGREDIENT-1684A408F067
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H26O8/c1-16(31)26-29-24(15-25(34)38-29)37-30(26)28(18-10-6-3-7-11-18)35-19-12-20(32)27-21(33)14-22(36-23(27)13-19)17-8-4-2-5-9-17/h2-13,22,24,26,28-30,32H,14-15H2,1H3/t22-,24+,26+,28-,29-,30-/m0/s1
Mol Wt
514.5300000000003
Mol Log P
4.506900000000004
In Ch Ikey
UBRQHXUVYDXHOP-FPZHPECOSA-N
Tcm Name
哥纳香
Tcm Name2
GE NA XIANG
Mol2 Path
/TCM_database/2007_3d_all/08944.mol2
Reference
4631
Num Hdonors
1
Tcm Name En
Cheliensis Goniothalamus
Drug Likeness
0.479
Num Hacceptors
8
Isomeric Smiles
CC(=O)[C@@H]1[C@@H]2[C@@H](CC(=O)O2)O[C@@H]1[C@H](C3=CC=CC=C3)OC4=CC(=C5C(=O)C[C@H](OC5=C4)C6=CC=CC=C6)O
Canonical Smiles
CC(=O)C1C2C(CC(=O)O2)OC1C(C3=CC=CC=C3)OC4=CC(=C5C(=O)CC(OC5=C4)C6=CC=CC=C6)O
Molecular Weight
514.160
Molecular Weight
514.5 g/mol
Molecular Formula
C30H26O8
Molecular Formula
C30H26O8
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.276
Quantitative Estimate Of Drug Likeness（Qed）
0.479