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
- 17658
- Core Entity Id
- 22798
- Source Entity Count
- 1
- Preferred Name
- Dulcisxanthone e
- Name En
- Pubchem Id
- 11655638
- Smiles Canonical
- CC(=CCCC(=CCC1=C(C2=C(C=C1O)OC3=C(C(=C(C=C3C2=O)O)O)CC=C(C)C)O)C)C
- Molecular Formula
- C28H32O6
- Molecular Weight
- 464.5580
- Inchikey
- PWWHMSASQNNPJB-LICLKQGHSA-N
- Inchi
- InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)10-12-18-21(29)14-23-24(26(18)32)27(33)20-13-22(30)25(31)19(28(20)34-23)11-9-16(3)4/h7,9-10,13-14,29-32H,6,8,11-12H2,1-5H3/b17-10+
- Isomeric Smiles
- CC(=CCC/C(=C/CC1=C(C2=C(C=C1O)OC3=C(C(=C(C=C3C2=O)O)O)CC=C(C)C)O)/C)C
- Cas Id
- Ob Score
- Mol Logp
- 6.5125
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.1800
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dulcisxanthone E
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Dulcisxanthone e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dulcisxanthone e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
甜山竹子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TIAN SHAN ZHU ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Dulcin Garcinia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
甜山竹子TIAN SHAN ZHU ZIDulcin Garcinia*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024554
Npass
NPC91597
Tcmid
6629
Pub Chem
11655638
Tcmbank
TCMBANKIN040973
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)10-12-18-21(29)14-23-24(26(18)32)27(33)20-13-22(30)25(31)19(28(20)34-23)11-9-16(3)4/h7,9-10,13-14,29-32H,6,8,11-12H2,1-5H3/b17-10+
Mol Wt
464.5580000000003
Mol Log P
6.512500000000008
In Ch Ikey
PWWHMSASQNNPJB-LICLKQGHSA-N
Tcm Name
甜山竹子
Tcm Name2
TIAN SHAN ZHU ZI
Mol2 Path
/TCM_database/2007_3d_all/06630.mol2
Reference
4422
Num Hdonors
4
Tcm Name En
Dulcin Garcinia*
Drug Likeness
0.18
Num Hacceptors
6
Isomeric Smiles
CC(=CCC/C(=C/CC1=C(C2=C(C=C1O)OC3=C(C(=C(C=C3C2=O)O)O)CC=C(C)C)O)/C)C
Canonical Smiles
CC(=CCCC(=CCC1=C(C2=C(C=C1O)OC3=C(C(=C(C=C3C2=O)O)O)CC=C(C)C)O)C)C
Molecular Weight
464.5 g/mol
Molecular Formula
C28H32O6
Num Rotatable Bonds
7