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
- 24272
- Core Entity Id
- 30165
- Source Entity Count
- 1
- Preferred Name
- Latisxanthone d
- Name En
- Pubchem Id
- 10739391
- Smiles Canonical
- CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C=C4C=CC(OC4=C3O)(C)C)O)C
- Molecular Formula
- C23H22O6
- Molecular Weight
- 394.4230
- Inchikey
- WONKAIBLCNOWOP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C23H22O6/c1-11(2)5-6-13-15(24)10-16-17(18(13)25)19(26)14-9-12-7-8-23(3,4)29-21(12)20(27)22(14)28-16/h5,7-10,24-25,27H,6H2,1-4H3
- Isomeric Smiles
- CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C=C4C=CC(OC4=C3O)(C)C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.7559
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4280
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Latisxanthone D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Latisxanthone d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Latisxanthone d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
黑线条藤黄
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HEI XIAN TIAO TENG HUANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Nigroline Garcinia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
7,9,12-trihydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)pyrano(3,2-b)xanthen-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7,9,12-trihydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL469412
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL469412
Role
alias
Source
itcmdb_public
Preferred
No
Name
lastixanthone D
Role
alias
Source
HERB_v2
Preferred
No
Name
lastixanthone D
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
黑线条藤黄HEI XIAN TIAO TENG HUANGNigroline Garcinia*7,9,12-trihydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)pyrano(3,2-b)xanthen-6-one7,9,12-trihydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-oneCHEMBL469412lastixanthone D
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032742
Npass
NPC218313
Tcmid
12555
Pub Chem
10739391
Tcmbank
TCMBANKIN038097
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H22O6/c1-11(2)5-6-13-15(24)10-16-17(18(13)25)19(26)14-9-12-7-8-23(3,4)29-21(12)20(27)22(14)28-16/h5,7-10,24-25,27H,6H2,1-4H3
Mol Wt
394.4230000000002
Mol Log P
4.755900000000004
In Ch Ikey
WONKAIBLCNOWOP-UHFFFAOYSA-N
Tcm Name
黑线条藤黄
Tcm Name2
HEI XIAN TIAO TENG HUANG
Mol2 Path
/TCM_database/2007_3d_all/12560.mol2
Reference
3482
Num Hdonors
3
Tcm Name En
Nigroline Garcinia*
Drug Likeness
0.428
Num Hacceptors
6
Isomeric Smiles
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C=C4C=CC(OC4=C3O)(C)C)O)C
Canonical Smiles
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C=C4C=CC(OC4=C3O)(C)C)O)C
Herb Alias Names
lastixanthone D7,9,12-trihydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)pyrano(3,2-b)xanthen-6-one7,9,12-trihydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-oneCHEMBL469412
Molecular Weight
394.4 g/mol
Molecular Formula
C23H22O6
Num Rotatable Bonds
2