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
- 7943
- Core Entity Id
- 12004
- Source Entity Count
- 1
- Preferred Name
- 6-oxotingenol
- Name En
- Pubchem Id
- 10410773
- Smiles Canonical
- CC1CC2C(CCC3(C2(CCC4(C3=CC(=O)C5=C(C(=C(C=C54)O)O)C)C)C)C)(CC1=O)C
- Molecular Formula
- C28H36O4
- Molecular Weight
- 436.5920
- Inchikey
- DONGTFGGMDGRAV-ZLPWHUKASA-N
- Inchi
- InChI=1S/C28H36O4/c1-15-11-21-25(3,14-20(15)31)7-9-28(6)22-13-18(29)23-16(2)24(32)19(30)12-17(23)26(22,4)8-10-27(21,28)5/h12-13,15,21,30,32H,7-11,14H2,1-6H3/t15-,21-,25+,26+,27+,28-/m1/s1
- Isomeric Smiles
- C[C@@H]1C[C@@H]2[C@@](CC[C@]3([C@]2(CC[C@@]4(C3=CC(=O)C5=C(C(=C(C=C54)O)O)C)C)C)C)(CC1=O)C
- Cas Id
- Ob Score
- Mol Logp
- 6.0083
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4890
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-Oxotingenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-oxotingenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6-oxotingenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
加那利美登木
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIA NA LI MEI DENG MU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Canari Mayten*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2R,4aS,6aR,6aS,14aS,14bR)-10,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-1,2,4,5,6,13,14,14b-octahydropicene-3,8-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,4aS,6aR,6aS,14aS,14bR)-10,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-1,2,4,5,6,13,14,14b-octahydropicene-3,8-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1651346
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1651346
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
加那利美登木JIA NA LI MEI DENG MUCanari Mayten*(2R,4aS,6aR,6aS,14aS,14bR)-10,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-1,2,4,5,6,13,14,14b-octahydropicene-3,8-dioneCHEMBL1651346
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012741
Npass
NPC277559
Tcmid
16418
Pub Chem
10410773
Tcmbank
TCMBANKIN037603
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H36O4/c1-15-11-21-25(3,14-20(15)31)7-9-28(6)22-13-18(29)23-16(2)24(32)19(30)12-17(23)26(22,4)8-10-27(21,28)5/h12-13,15,21,30,32H,7-11,14H2,1-6H3/t15-,21-,25+,26+,27+,28-/m1/s1
Mol Wt
436.5920000000002
Mol Log P
6.008320000000007
In Ch Ikey
DONGTFGGMDGRAV-ZLPWHUKASA-N
Tcm Name
加那利美登木
Tcm Name2
JIA NA LI MEI DENG MU
Mol2 Path
/TCM_database/2007_3d_all/16429.mol2
Reference
2891, 2800
Num Hdonors
2
Tcm Name En
Canari Mayten*
Drug Likeness
0.489
Num Hacceptors
4
Isomeric Smiles
C[C@@H]1C[C@@H]2[C@@](CC[C@]3([C@]2(CC[C@@]4(C3=CC(=O)C5=C(C(=C(C=C54)O)O)C)C)C)C)(CC1=O)C
Canonical Smiles
CC1CC2C(CCC3(C2(CCC4(C3=CC(=O)C5=C(C(=C(C=C54)O)O)C)C)C)C)(CC1=O)C
Herb Alias Names
CHEMBL1651346(2R,4aS,6aR,6aS,14aS,14bR)-10,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-1,2,4,5,6,13,14,14b-octahydropicene-3,8-dione
Molecular Weight
436.6 g/mol
Molecular Formula
C28H36O4
Num Rotatable Bonds
0