IngredientID 2626
(2'r,5'r,6as,6bs,8ar,8bs,11ar,12ar,12br)-5',6a,8a-trimethyl-1,3',4',5',6,6a,6b,6',7,8a,8b,9,11a,12,12a,12b-hexadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4,8(2h,5h)-dione
C26H36O4
Relationship Network
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Herb: 1Ingredient: 1Target: 4Links: 5
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2626
- Core Entity Id
- 6107
- Source Entity Count
- 1
- Preferred Name
- (2'r,5'r,6as,6bs,8ar,8bs,11ar,12ar,12br)-5',6a,8a-trimethyl-1,3',4',5',6,6a,6b,6',7,8a,8b,9,11a,12,12a,12b-hexadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4,8(2h,5h)-dione
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C26H36O4
- Molecular Weight
- 412.6200
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- 16.5530
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2'R,5'R,6As,6Bs,8Ar,8Bs,11Ar,12Ar,12Br)-5',6A,8A-Trimethyl-1,3',4',5',6,6A,6B,6',7,8A,8B,9,11A,12,12A,12B-Hexadecahydrospiro[Naphtho[2',1':4,5]Indeno[2,1-B]Furan-10,2'-Pyran]-4,8(2H,5H)-Dione
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(2'R,5'R,6As,6Bs,8Ar,8Bs,11Ar,12Ar,12Br)-5',6A,8A-Trimethyl-1,3',4',5',6,6A,6B,6',7,8A,8B,9,11A,12,12A,12B-Hexadecahydrospiro[Naphtho[2',1':4,5]Indeno[2,1-B]Furan-10,2'-Pyran]-4,8(2H,5H)-Dione
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2'R,5'R,6aS,6bS,8aR,8bS,11aR,12aR,12bR)-5',6a,8a-trimethyl-1,3',4',5',6,6a,6b,6',7,8a,8b,9,11a,12,12a,12b-hexadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4,8(2H,5H)-dione
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2'R,5'R,6aS,6bS,8aR,8bS,11aR,12aR,12bR)-5',6a,8a-trimethyl-1,3',4',5',6,6a,6b,6',7,8a,8b,9,11a,12,12a,12b-hexadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4,8(2H,5H)-dione
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2'r,5'r,6as,6bs,8ar,8bs,11ar,12ar,12br)-5',6a,8a-trimethyl-1,3',4',5',6,6a,6b,6',7,8a,8b,9,11a,12,12a,12b-hexadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4,8(2h,5h)-dione
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2'r,5'r,6as,6bs,8ar,8bs,11ar,12ar,12br)-5',6a,8a-trimethyl-1,3',4',5',6,6a,6b,6',7,8a,8b,9,11a,12,12a,12b-hexadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4,8(2h,5h)-dione
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006523
Tcmsp
MOL008571
Sym Map
SMIT09839
Tcmbank
TCMBANKIN023001
Etcm Ingredient
(2'R,5'R,6aS,6bS,8aR,8bS,11aR,12aR,12bR)-5',6a,8a-trimethyl-1,3',4',5',6,6a,6b,6',7,8a,8b,9,11a,12,12a,12b-hexadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4,8(2H,5H)-dione
Itcmdb Generated
ITX-INGREDIENT-881DE97A7694
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
16.55316.55312516.55312521
Suppress
0
Molecule Weight
412.62
Molecular Weight
412.260
Molecular Weight
412.62
Molecular Formula
C26H36O4
Fda Maximum Daily Dose (Fdamdd)
0.890
Quantitative Estimate Of Drug Likeness（Qed）
0.534