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
- 35151
- Core Entity Id
- 42257
- Source Entity Count
- 1
- Preferred Name
- Thelephantin f
- Name En
- Pubchem Id
- 101260623
- Smiles Canonical
- CC(C)C(C)CC(=O)OC1=C(C(=C(C(=C1O)C2=CC=C(C=C2)O)OC(=O)CC3=CC=CC=C3)O)C4=CC=C(C=C4)O
- Molecular Formula
- C33H32O8
- Molecular Weight
- 556.6110
- Inchikey
- AHONBSJSZASARD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C33H32O8/c1-19(2)20(3)17-26(36)40-32-28(22-9-13-24(34)14-10-22)31(39)33(41-27(37)18-21-7-5-4-6-8-21)29(30(32)38)23-11-15-25(35)16-12-23/h4-16,19-20,34-35,38-39H,17-18H2,1-3H3
- Isomeric Smiles
- CC(C)C(C)CC(=O)OC1=C(C(=C(C(=C1O)C2=CC=C(C=C2)O)OC(=O)CC3=CC=CC=C3)O)C4=CC=C(C=C4)O
- Cas Id
- Ob Score
- Mol Logp
- 6.5787
- Num H Donors
- 4
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.1030
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Thelephantin F
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Thelephantin f
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Thelephantin f
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
金黄革菌
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIN HUANG GE JUN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Goldenyellow Thelephore*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
金黄革菌JIN HUANG GE JUNGoldenyellow Thelephore*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN046268
Npass
NPC216796
Tcmid
21282
Pub Chem
101260623
Tcmbank
TCMBANKIN048704
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C33H32O8/c1-19(2)20(3)17-26(36)40-32-28(22-9-13-24(34)14-10-22)31(39)33(41-27(37)18-21-7-5-4-6-8-21)29(30(32)38)23-11-15-25(35)16-12-23/h4-16,19-20,34-35,38-39H,17-18H2,1-3H3
Mol Wt
556.6110000000003
Mol Log P
6.57870000000001
In Ch Ikey
AHONBSJSZASARD-UHFFFAOYSA-N
Tcm Name
金黄革菌
Tcm Name2
JIN HUANG GE JUN
Mol2 Path
/TCM_database/2007_3d_all/21298.mol2
Reference
3423
Num Hdonors
4
Tcm Name En
Goldenyellow Thelephore*
Drug Likeness
0.103
Num Hacceptors
8
Isomeric Smiles
CC(C)C(C)CC(=O)OC1=C(C(=C(C(=C1O)C2=CC=C(C=C2)O)OC(=O)CC3=CC=CC=C3)O)C4=CC=C(C=C4)O
Canonical Smiles
CC(C)C(C)CC(=O)OC1=C(C(=C(C(=C1O)C2=CC=C(C=C2)O)OC(=O)CC3=CC=CC=C3)O)C4=CC=C(C=C4)O
Molecular Weight
556.6 g/mol
Molecular Formula
C33H32O8
Num Rotatable Bonds
9